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CHEBI:58234 - 3-hydroxyquininium

ChEBI IDCHEBI:58234
ChEBI Name3-hydroxyquininium
Stars
DefinitionAn organic cation that is the conjugate acid of 3-hydroxyquinine, formed via protonation of the tertiary amino group; major species at pH 7.3.
Last Modified13 November 2017
DownloadsMolfile
FormulaC20H25N2O3
Net Charge+1
Average Mass341.431
Monoisotopic Mass341.18597
SMILES[H][C@@]1([C@H](O)c2ccnc3ccc(OC)cc23)C[C@@H]2CC[N@H+]1C[C@]2(O)C=C
InChIInChI=1S/C20H24N2O3/c1-3-20(24)12-22-9-7-13(20)10-18(22)19(23)15-6-8-21-17-5-4-14(25-2)11-16(15)17/h3-6,8,11,13,18-19,23-24H,1,7,9-10,12H2,2H3/p+1/t13-,18-,19+,20+/m0/s1
InChIKeyBSRUJCFCZKMFMB-YGHPHNMRSA-O
ChEBI Ontology
Outgoing Relation(s)
3-hydroxyquininium (CHEBI:58234) is a ammonium ion derivative (CHEBI:35274)
3-hydroxyquininium (CHEBI:58234) is a organic cation (CHEBI:25697)
3-hydroxyquininium (CHEBI:58234) is conjugate acid of 3-hydroxyquinine (CHEBI:17685)
Incoming Relation(s)
3-hydroxyquinine (CHEBI:17685) is conjugate base of 3-hydroxyquininium (CHEBI:58234)
IUPAC Name 
(8α,9R)-3,9-dihydroxy-6'-methoxycinchonan-1-ium
Synonyms  Source
3-hydroxyquininium cationChEBI
3-hydroxyquininium(1+)ChEBI
UniProt Name  Source
3-hydroxyquinineUniProt