328770 <common-name>1-methyl-2-[3-(1-methylpiperidin-1-ium-1-yl)propyl]-4bh-pyrido[3,4-b]indol-2-ium</common-name> <description>1-methyl-2-[3-(1-methylpiperidin-1-ium-1-yl)propyl]-4bh-pyrido[3,4-b]indol-2-ium is a chemical compound with the formula C21H29N3+2. It has an average molecular weight of 323.50 g/mol.</description> <cas nil="true"/> <pubchem-id>3048101</pubchem-id> <chemical-formula>C21H29N3+2</chemical-formula> <weight>323.5</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">2026-08-30T08:48:25Z</created-at> <updated-at type="dateTime">2026-08-30T08:48:25Z</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=[N+](C=CC2=C1N=C3C2C=CC=C3)CCC[N+]4(CCCCC4)C</moldb-smiles> <moldb-formula>C21H29N3+2</moldb-formula> <moldb-inchi>InChI=1S/C21H29N3/c1-17-21-19(18-9-4-5-10-20(18)22-21)11-13-23(17)12-8-16-24(2)14-6-3-7-15-24/h4-5,9-11,13,18H,3,6-8,12,14-16H2,1-2H3/q+2</moldb-inchi> <moldb-inchikey>DHGWYSLKSILWKE-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">323.2361479</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.1</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>CHEM324663</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>1-methyl-2-[3-(1-methylpiperidin-1-ium-1-yl)propyl]-4bh-pyrido[3,4-b]indol-2-ium</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>Alkaloids and derivatives</superklass> <klass>Harmala alkaloids</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0279346</sync-id> <structure-inchikey>DHGWYSLKSILWKE-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20008020000000000000800000000000000000010100000000000000000000000000000000000200000000000000002000000000002000008001000000000000000000003000000000000000000000000000000000000000000001000000020000000000000000000000000220080000000000031040080000000000001000101800004040100010000000000000000000000000000000000000000000000000000008000000800000000000081000000100000000000000000000000000001000000000200000010000000200000000000200000000002000004200000000000000000010000000100040000000010000000000000000000000000000000002</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� �� � ���B��������������� �� �� � �����������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:31:46Z</structure-indexed-at> </compound>