<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">332866</id>
  <title nil="true"/>
  <common-name>[2-(2,4-dimethylanilino)-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-dimethylazanium</common-name>
  <description>[2-(2,4-dimethylanilino)-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-dimethylazanium is a compound with the formula C22H30N3O2+. It has an average molecular weight of 368.50 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>20135</pubchem-id>
  <chemical-formula>C22H30N3O2+</chemical-formula>
  <weight>368.5</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">2026-08-30T14:06:11Z</created-at>
  <updated-at type="dateTime">2026-08-30T14:06:11Z</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=CC(=C(C=C1)NC(=O)C[N+](C)(C)CC(=O)NC2=C(C=CC=C2C)C)C</moldb-smiles>
  <moldb-formula>C22H30N3O2+</moldb-formula>
  <moldb-inchi>InChI=1S/C22H29N3O2/c1-15-10-11-19(18(4)12-15)23-20(26)13-25(5,6)14-21(27)24-22-16(2)8-7-9-17(22)3/h7-12H,13-14H2,1-6H3,(H-,23,24,26,27)/p+1</moldb-inchi>
  <moldb-inchikey>YWYQEZONDHBNPS-UHFFFAOYSA-O</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">368.2338022</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.5</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>CHEM328759</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>[2-(2,4-dimethylanilino)-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-dimethylazanium</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 acids and derivatives</superklass>
  <klass>Carboxylic acids and derivatives</klass>
  <subklass>Amino acids, peptides, and analogues</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0283365</sync-id>
  <structure-inchikey>YWYQEZONDHBNPS-UHFFFAOYSA-O</structure-inchikey>
  <structure-fingerprint>4000000000800000000000000000000000000000080000001000000000000000000000000000000000000400000002000000000000000000000000020000000000000000000000000008000020000000000000000000000000000000000000010000010000000000100000000000000000000000000000000004000001000040000800800000000000000080000000000000000080000000000000000040008000000000000000080100200000000020000000000400000000000000000000000000000000000000000000000000000000002010000200000000000002008100000000800040000000000400000008000000000001000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`������@(������@h�������@(������@(������@h�������@h��������h��������(�������(�������`������ "�������`�������`�������`�������(�������(�������h�������@(������@(������@h�������@h�������@h�������@(�������`�������`�������`�����������h���h���h���h���h��� �� �	(��
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���������������(��� �� ��h���h���h���h���h������������h���h�B����������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:35:04Z</structure-indexed-at>
</compound>
