335730 <common-name>[2-(4-chloroanilino)-2-oxoethyl]-(2-hydroxy-3-naphthalen-1-yloxypropyl)-dimethylazanium</common-name> <description>[2-(4-chloroanilino)-2-oxoethyl]-(2-hydroxy-3-naphthalen-1-yloxypropyl)-dimethylazanium is a chemical compound with the formula C23H26ClN2O3+. It has an average molecular weight of 413.90 g/mol.</description> <cas nil="true"/> <pubchem-id>55697</pubchem-id> <chemical-formula>C23H26ClN2O3+</chemical-formula> <weight>413.9</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">2026-08-30T17:57:53Z</created-at> <updated-at type="dateTime">2026-08-30T17:57:53Z</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>C[N+](C)(CC(COC1=CC=CC2=CC=CC=C21)O)CC(=O)NC3=CC=C(C=C3)Cl</moldb-smiles> <moldb-formula>C23H26ClN2O3+</moldb-formula> <moldb-inchi>InChI=1S/C23H25ClN2O3/c1-26(2,15-23(28)25-19-12-10-18(24)11-13-19)14-20(27)16-29-22-9-5-7-17-6-3-4-8-21(17)22/h3-13,20,27H,14-16H2,1-2H3/p+1</moldb-inchi> <moldb-inchikey>CQTFDYDACHLEFJ-UHFFFAOYSA-O</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">413.1631954</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.1</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>CHEM331623</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-(4-chloroanilino)-2-oxoethyl]-(2-hydroxy-3-naphthalen-1-yloxypropyl)-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>CED0286197</sync-id> <structure-inchikey>CQTFDYDACHLEFJ-UHFFFAOYSA-O</structure-inchikey> <structure-fingerprint>40000000004000000000800000000200000000000000000100000080100000000000000000000000000000000000000000000002000000000000000000000000000000000000400000000000000008000020200000000100000000000000000000000000010280010010000000000000040000000000000000000800000000000001000040020401800080800000000080000000000100000000000000000000000000008000000000440000080000202000000000080000000000000000000000000000040000000000000000000000000010000000000000000200100000000002008000000001000040000000200400000000000020000000000000000200</structure-fingerprint> 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