<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-08-25 13:29:16 UTC</creation_date>
  <update_date>2026-08-25 13:29:16 UTC</update_date>
  <accession/>
  <common_name>1-[(e)-3-chloroprop-2-enyl]-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane</common_name>
  <class>SmallMolecule</class>
  <description>1-[(e)-3-chloroprop-2-enyl]-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane belongs to the 1,3,5-triazinanes, a subclass of triazinanes within the organic compounds. This organoheterocyclic compound has the formula C9H16ClN4+ and an average molecular weight of 215.70 g/mol.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C9H16ClN4+</chemical_formula>
  <average_molecular_weight>215.7</average_molecular_weight>
  <monisotopic_moleculate_weight>215.1063492</monisotopic_moleculate_weight>
  <iupac_name/>
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  <smiles/>
  <inchi>InChI=1S/C9H16ClN4/c10-2-1-3-14-7-11-4-12(8-14)6-13(5-11)9-14/h1-2H,3-9H2/q+1/b2-1+</inchi>
  <inchikey>LDLCEGCJYSDJLX-OWOJBTEDSA-N</inchikey>
  <taxonomy>
    <kingdom/>
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    <class/>
    <sub_class/>
    <direct_parent/>
    <alternate_parents/>
    <substituents/>
    <molecular_framework/>
    <descriptors/>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
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  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>1.2</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>215.7</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>215.1063492</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C9H16ClN4+</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C9H16ClN4/c10-2-1-3-14-7-11-4-12(8-14)6-13(5-11)9-14/h1-2H,3-9H2/q+1/b2-1+</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>LDLCEGCJYSDJLX-OWOJBTEDSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
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  <metabolism/>
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  <lethaldose/>
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  <use_source/>
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  <symptoms/>
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  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>5475987</pubchem_compound_id>
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  <biocyc_id/>
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  <wikipidia/>
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