CHEBI:58234 - 3-hydroxyquininium

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-hydroxyquininium
ChEBI ID CHEBI:58234
Definition An organic cation that is the conjugate acid of 3-hydroxyquinine, formed via protonation of the tertiary amino group; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C20H25N2O3
Net Charge +1
Average Mass 341.42410
Monoisotopic Mass 341.18597
InChI InChI=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
InChIKey BSRUJCFCZKMFMB-YGHPHNMRSA-O
SMILES [H][C@]1(C[C@@H]2CC[N@H+]1C[C@]2(O)C=C)[C@H](O)c1ccnc2ccc(OC)cc12
ChEBI Ontology
Outgoing 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 3-hydroxyquinine (CHEBI:17685) is conjugate base of 3-hydroxyquininium (CHEBI:58234)
IUPAC Name
(8α,9R)-3,9-dihydroxy-6'-methoxycinchonan-1-ium
Synonyms Sources
3-hydroxyquinine UniProt
3-hydroxyquininium cation ChEBI
3-hydroxyquininium(1+) ChEBI
Last Modified
13 November 2017