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<compound>
  <version>1.0</version>
  <creation_date>2026-08-28 02:01:34 UTC</creation_date>
  <update_date>2026-08-28 02:01:34 UTC</update_date>
  <accession/>
  <common_name>1,5,5-trimethyl-3-(4-methylphenyl)sulfonyl-4h-imidazol-1-ium</common_name>
  <class>SmallMolecule</class>
  <description>1,5,5-trimethyl-3-(4-methylphenyl)sulfonyl-4h-imidazol-1-ium belongs to the benzenesulfonamides, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the chemical formula C13H19N2O2S+ and an average molecular weight of 267.37 g/mol.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C13H19N2O2S+</chemical_formula>
  <average_molecular_weight/>
  <monisotopic_moleculate_weight>267.116724</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>140703-19-1</cas_registry_number>
  <smiles>CC1=CC=C(C=C1)S(=O)(=O)N2CC([N+](=C2)C)(C)C</smiles>
  <inchi>InChI=1S/C13H19N2O2S/c1-11-5-7-12(8-6-11)18(16,17)15-9-13(2,3)14(4)10-15/h5-8,10H,9H2,1-4H3/q+1</inchi>
  <inchikey>PSMDXWOUDYBQGK-UHFFFAOYSA-N</inchikey>
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    <kingdom/>
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    <sub_class/>
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    <descriptors/>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
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  <state/>
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  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>1.4</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>mono_mass</kind>
      <value>267.116724</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CC1=CC=C(C=C1)S(=O)(=O)N2CC([N+](=C2)C)(C)C</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C13H19N2O2S+</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C13H19N2O2S/c1-11-5-7-12(8-6-11)18(16,17)15-9-13(2,3)14(4)10-15/h5-8,10H,9H2,1-4H3/q+1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>PSMDXWOUDYBQGK-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
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  <use_source/>
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  <symptoms/>
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  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>3035712</pubchem_compound_id>
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