333121 <common-name>[3-[3,5-bis(ethoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridin-4-yl]phenyl]-trimethylazanium</common-name> <description>[3-[3,5-bis(ethoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridin-4-yl]phenyl]-trimethylazanium is a compound with the formula C22H31N2O4+. It has an average molecular weight of 387.50 g/mol.</description> <cas nil="true"/> <pubchem-id>48334</pubchem-id> <chemical-formula>C22H31N2O4+</chemical-formula> <weight>387.5</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">2026-08-30T14:23:15Z</created-at> <updated-at type="dateTime">2026-08-30T14:23:15Z</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>CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](C)(C)C)C(=O)OCC)C)C</moldb-smiles> <moldb-formula>C22H31N2O4+</moldb-formula> <moldb-inchi>InChI=1S/C22H30N2O4/c1-8-27-21(25)18-14(3)23-15(4)19(22(26)28-9-2)20(18)16-11-10-12-17(13-16)24(5,6)7/h10-13,20H,8-9H2,1-7H3/p+1</moldb-inchi> <moldb-inchikey>SYBZMSAANGBTOC-UHFFFAOYSA-O</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">387.2283825</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.3</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>CHEM329014</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>[3-[3,5-bis(ethoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridin-4-yl]phenyl]-trimethylazanium</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>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Aniline and substituted anilines</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0283606</sync-id> <structure-inchikey>SYBZMSAANGBTOC-UHFFFAOYSA-O</structure-inchikey> <structure-fingerprint>400800000000000000050000000000000000000000000000000000002000000000000000000000000000002000000000000000000000000000000000000000000000010000008000030000000000100000000000000010000000000010000000000000001120000000000000000000000000000000400100001000048000000800000200000000000001000001000000000020000000001000000000040000000000000080000000000000000000080000000000800000000000000000000000000000000001001000000000000002000000200010000000000000000000000000040000000000400000000000000000000000000000000</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�B������ ����� ��������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:35:17Z</structure-indexed-at> </compound>