321382 <common-name>1-(3,4-dimethoxyphenyl)-2-(4-pyridin-4-ylpyridin-1-ium-1-yl)ethanone</common-name> <description>1-(3,4-dimethoxyphenyl)-2-(4-pyridin-4-ylpyridin-1-ium-1-yl)ethanone is a chemical compound with the formula C20H19N2O3+. It has an average molecular weight of 335.40 g/mol.</description> <cas nil="true"/> <pubchem-id>45051215</pubchem-id> <chemical-formula>C20H19N2O3+</chemical-formula> <weight>335.4</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">2026-08-29T20:49:53Z</created-at> <updated-at type="dateTime">2026-08-29T20:49:53Z</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>COC1=C(C=C(C=C1)C(=O)C[N+]2=CC=C(C=C2)C3=CC=NC=C3)OC</moldb-smiles> <moldb-formula>C20H19N2O3+</moldb-formula> <moldb-inchi>InChI=1S/C20H19N2O3/c1-24-19-4-3-17(13-20(19)25-2)18(23)14-22-11-7-16(8-12-22)15-5-9-21-10-6-15/h3-13H,14H2,1-2H3/q+1</moldb-inchi> <moldb-inchikey>ORFSRNRMVWWRBO-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">335.1395675</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>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>CHEM317275</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-(3,4-dimethoxyphenyl)-2-(4-pyridin-4-ylpyridin-1-ium-1-yl)ethanone</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 oxygen compounds</superklass> <klass>Organooxygen compounds</klass> <subklass>Carbonyl compounds</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0272103</sync-id> <structure-inchikey>ORFSRNRMVWWRBO-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20000000000000000800200000000000800440000000000000000000000400000000000000000000000000000002100000000000800000001000000000000000000000080000000000000000000000020000001000100000008000000000000000000010400000040000000100000000200000000000000000000001000000000000040000000000000000000000000800000000000800000000400000000000000000000000000000000084000000000000000000000000000000000000080000000000000001000000000000000000000044000000000000200000000000000000000000000002440000000000400000000000820000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAZAAAAGwAAAIABBgBgAAAAAQMIACgAAAAD AgZAKAAAAAMEBkAoAAAAAwQGQGgAAAADAwEGQCgAAAADBAZAaAAAAAMDAQZA aAAAAAMDAQYAKAAAAAMECAAoAAAAAwIGAGAAAAACAgdgKgAAAAEDBAZAaAAA AAMDAQZAaAAAAAMDAQZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMBBkAoAAAA AwQGQGgAAAADAwEGQGgAAAADAwEHQCgAAAADAwZAaAAAAAMDAQZAaAAAAAMD AQgAKAAAAAMCBgBgAAAAAQMLAAEAAQIgAgNoDAMEaAwEBWgMBQZoDAYHaAwF CCAICSgCCAoACgsACwxoDAwNaAwNDmgMDg9oDA8QaAwOESAREmgMEhNoDBMU aAwUFWgMFRZoDAMXIBcYAAcCaAwQC2gMFhFoDEIDAAAABgIHBgUEAwYMDQ4P EAsGEhMUFRYRFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:26:14Z</structure-indexed-at> </compound>