<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-08-30 08:47:26 UTC</creation_date>
  <update_date>2026-08-30 08:47:26 UTC</update_date>
  <accession/>
  <common_name>2-[4-[(2-chloro-4-nitrophenyl)diazenyl]-n-ethylanilino]ethyl-(2-hydroxypropyl)-dimethylazanium</common_name>
  <class>SmallMolecule</class>
  <description>2-[4-[(2-chloro-4-nitrophenyl)diazenyl]-n-ethylanilino]ethyl-(2-hydroxypropyl)-dimethylazanium is a compound with the formula C21H29ClN5O3+. It has an average molecular weight of 434.90 g/mol.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C21H29ClN5O3+</chemical_formula>
  <average_molecular_weight/>
  <monisotopic_moleculate_weight>434.1958925</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number/>
  <smiles>CCN(CC[N+](C)(C)CC(C)O)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl</smiles>
  <inchi>InChI=1S/C21H29ClN5O3/c1-5-25(12-13-27(3,4)15-16(2)28)18-8-6-17(7-9-18)23-24-21-11-10-19(26(29)30)14-20(21)22/h6-11,14,16,28H,5,12-13,15H2,1-4H3/q+1</inchi>
  <inchikey>BIOVUACJQYBICE-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom/>
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    <class/>
    <sub_class/>
    <direct_parent/>
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    <substituents/>
    <molecular_framework/>
    <descriptors/>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways/>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>4.4</value>
    </property>
  </experimental_properties>
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    <property>
      <kind>mono_mass</kind>
      <value>434.1958925</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CCN(CC[N+](C)(C)CC(C)O)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C21H29ClN5O3+</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C21H29ClN5O3/c1-5-25(12-13-27(3,4)15-16(2)28)18-8-6-17(7-9-18)23-24-21-11-10-19(26(29)30)14-20(21)22/h6-11,14,16,28H,5,12-13,15H2,1-4H3/q+1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>BIOVUACJQYBICE-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
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  <use_source/>
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  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f72775208c8&gt;</health_effects>
  <symptoms/>
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  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>103881</pubchem_compound_id>
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