<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">354839</id>
  <title nil="true"/>
  <common-name>6-[dimethyl-[2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)butyl]azaniumyl]hexyl-dimethyl-[2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)butyl]azanium</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>48641</pubchem-id>
  <chemical-formula>C38H74N2+2</chemical-formula>
  <weight>559</weight>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2026-08-31T22:49:56Z</created-at>
  <updated-at type="dateTime">2026-08-31T22:49:56Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CC1=C(C(CCC1)(C)C)CCC(C)C[N+](C)(C)CCCCCC[N+](C)(C)CC(C)CCC2=C(CCCC2(C)C)C</moldb-smiles>
  <moldb-formula>C38H74N2+2</moldb-formula>
  <moldb-inchi>InChI=1S/C38H74N2/c1-31(21-23-35-33(3)19-17-25-37(35,5)6)29-39(9,10)27-15-13-14-16-28-40(11,12)30-32(2)22-24-36-34(4)20-18-26-38(36,7)8/h31-32H,13-30H2,1-12H3/q+2</moldb-inchi>
  <moldb-inchikey>YNUXDNBJWVVOTJ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">558.5852004</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>9.7</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM350732</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>6-[dimethyl-[2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)butyl]azaniumyl]hexyl-dimethyl-[2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)butyl]azanium</iupac>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organic nitrogen compounds</superklass>
  <klass>Organonitrogen compounds</klass>
  <subklass>Quaternary ammonium salts</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0305117</sync-id>
  <structure-inchikey>YNUXDNBJWVVOTJ-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000020000000000800000000000000000000000000000000000000000000040001000100000000000000000000000040002000000080000000000000000000010000000000000000100000008080000000000000000000000001000000100000000000000010000000000000000000040020000004000000800000000000820020048000000000000000000010000200000000000000000001000000020000000008000000004000000080000000000000000000000000000010000000000000000008000000000000000000000000000000000002000200000000000000000000000000000000000000000010000000000080000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������(���)���€���`�������(�������(������� ������`�������`�������`�������`�������`�������`�������`�������`�������`�������`������ "�������`�������`�������`�������`�������`�������`�������`�������`������ "�������`�������`�������`�������`�������`�������`�������`�������(�������(�������`�������`�������`������� ������`�������`�������`��������������������������������	�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:52:49Z</structure-indexed-at>
</compound>
