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3-hydroxyquininium
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http://purl.obolibrary.org/obo/CHEBI_58234
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.
Term info
Label
3-hydroxyquininium
Synonyms
- (8alpha,9R)-3,9-dihydroxy-6'-methoxycinchonan-1-ium
Subsets
3_STAR
charge
+1
formula
C20H25N2O3
has obo namespace
chebi_ontology
has related synonym
3-hydroxyquinine, 3-hydroxyquininium(1+), 3-hydroxyquininium cation
id
CHEBI:58234
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
mass
341.42410
monoisotopicmass
341.18597
smiles
[H][C@]1(C[C@@H]2CC[N@H+]1C[C@]2(O)C=C)[C@H](O)c1ccnc2ccc(OC)cc12
Term relations
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