323404 <common-name>Diethyl-(4-hydroxy-4-phenyl-4-pyridin-2-ylbut-2-ynyl)-methylazanium</common-name> <description>Diethyl-(4-hydroxy-4-phenyl-4-pyridin-2-ylbut-2-ynyl)-methylazanium is a compound with the formula C20H25N2O+. It has an average molecular weight of 309.40 g/mol.</description> <cas nil="true"/> <pubchem-id>16428</pubchem-id> <chemical-formula>C20H25N2O+</chemical-formula> <weight>309.4</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">2026-08-30T00:06:14Z</created-at> <updated-at type="dateTime">2026-08-30T00:06:14Z</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>CC[N+](C)(CC)CC#CC(C1=CC=CC=C1)(C2=CC=CC=N2)O</moldb-smiles> <moldb-formula>C20H25N2O+</moldb-formula> <moldb-inchi>InChI=1S/C20H25N2O/c1-4-22(3,5-2)17-11-15-20(23,18-12-7-6-8-13-18)19-14-9-10-16-21-19/h6-10,12-14,16,23H,4-5,17H2,1-3H3/q+1</moldb-inchi> <moldb-inchikey>JYDBRKRHDUTVQQ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">309.1966884</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.5</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>CHEM319297</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>Diethyl-(4-hydroxy-4-phenyl-4-pyridin-2-ylbut-2-ynyl)-methylazanium</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>Organoheterocyclic compounds</superklass> <klass>Pyridines and derivatives</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0274082</sync-id> <structure-inchikey>JYDBRKRHDUTVQQ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000002900000001000000000000000000800000000000000002000003000000000000002004000002000000008000000200000000000000000000000100000000000008000000000024000000000800000000000000000000010000000000000000000000000000000000000000008000000000000000000040000000800000000000000010000000000100000000000000000000000000040000000000000000080000000040040000080000000000000000001000002000100000000000000000000000000000000000000000000200000400000000000000000000002040000000080000000000000000000000000040000000</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� �h���h� ����h���h���h���h���h� ��� h���h�B������� �� �����������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:27:48Z</structure-indexed-at> </compound>