348772 <common-name>Decyl 2-[1-[(e)-4-(2-chlorophenyl)-3-methylbut-2-enyl]piperidin-1-ium-1-yl]acetate</common-name> <description>Decyl 2-[1-[(e)-4-(2-chlorophenyl)-3-methylbut-2-enyl]piperidin-1-ium-1-yl]acetate is a compound with the formula C28H45ClNO2+. It has an average molecular weight of 463.10 g/mol.</description> <cas nil="true"/> <pubchem-id>6445834</pubchem-id> <chemical-formula>C28H45ClNO2+</chemical-formula> <weight>463.1</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">2026-08-31T12:55:55Z</created-at> <updated-at type="dateTime">2026-08-31T12:55:55Z</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>CCCCCCCCCCOC(=O)C[N+]1(CCCCC1)CC=C(C)CC2=CC=CC=C2Cl</moldb-smiles> <moldb-formula>C28H45ClNO2+</moldb-formula> <moldb-inchi>InChI=1S/C28H45ClNO2/c1-3-4-5-6-7-8-9-15-22-32-28(31)24-30(19-13-10-14-20-30)21-18-25(2)23-26-16-11-12-17-27(26)29/h11-12,16-18H,3-10,13-15,19-24H2,1-2H3/q+1/b25-18+</moldb-inchi> <moldb-inchikey>GDWLFOGXBKFLGH-XIEYBQDHSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">462.3138824</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>9.2</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>CHEM344665</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>Decyl 2-[1-[(e)-4-(2-chlorophenyl)-3-methylbut-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>CED0299100</sync-id> <structure-inchikey>GDWLFOGXBKFLGH-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>200400000000000000008000000000000000100000000000000000000000000000000000030000000400000000020000000000000020000000400001000000000000000000004000000110000000802000a0000000000300400000000000000000000020010000000000100000000000000000020000000000020000000000400820000040000000800000000000010080000000000100000000000040000000000000000000000004000000082000000000000008000000000000000000200000000000000000050000000200000000000010000000200002002200000000000000000040000000000040100000010400000000000000000000000000000000</structure-fingerprint> 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