329153 <common-name>Ethyl 2-[1-[(e)-3-methyl-4-(4-methylphenyl)but-2-enyl]piperidin-1-ium-1-yl]acetate</common-name> <description>Ethyl 2-[1-[(e)-3-methyl-4-(4-methylphenyl)but-2-enyl]piperidin-1-ium-1-yl]acetate is a compound with the formula C21H32NO2+. It has an average molecular weight of 330.50 g/mol.</description> <cas nil="true"/> <pubchem-id>6445945</pubchem-id> <chemical-formula>C21H32NO2+</chemical-formula> <weight>330.5</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">2026-08-30T09:16:16Z</created-at> <updated-at type="dateTime">2026-08-30T09:16:16Z</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)C[N+]1(CCCCC1)CC=C(C)CC2=CC=C(C=C2)C</moldb-smiles> <moldb-formula>C21H32NO2+</moldb-formula> <moldb-inchi>InChI=1S/C21H32NO2/c1-4-24-21(23)17-22(13-6-5-7-14-22)15-12-19(3)16-20-10-8-18(2)9-11-20/h8-12H,4-7,13-17H2,1-3H3/q+1/b19-12+</moldb-inchi> <moldb-inchikey>QSUQVOPAANWOCV-XDHOZWIPSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">330.2433043</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.8</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>CHEM325046</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>Ethyl 2-[1-[(e)-3-methyl-4-(4-methylphenyl)but-2-enyl]piperidin-1-ium-1-yl]acetate</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>CED0279723</sync-id> <structure-inchikey>QSUQVOPAANWOCV-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>200000000000000000008000000000000000100000000000000000000010000000000000020002000400000000000000000000000020000000400001000000000000000000000000000010000004002000a0000000000300400000000000000000000000010000000000100000000000000040020000000000000000000000400800000040000000000000000000000000000000000000000000020000000000000000000000000000000000082000000000000000000000000000000000200000000000000000010000000200000000000000000000202000002220000000000000000140000000000040100000000480000000000000000000000000004000</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">2026-09-19T05:32:03Z</structure-indexed-at> </compound>