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CHEBI:57996 - nororientalinium(1+)

ChEBI IDCHEBI:57996
ChEBI Namenororientalinium(1+)
Stars
DefinitionThe conjugate acid of nororientaline; major species at pH 7.3.
Last Modified13 November 2017
DownloadsMolfile
FormulaC18H22NO4
Net Charge+1
Average Mass316.377
Monoisotopic Mass316.15433
SMILESCOc1cc(CC2[NH2+]CCc3cc(OC)c(O)cc32)ccc1O
InChIInChI=1S/C18H21NO4/c1-22-17-8-11(3-4-15(17)20)7-14-13-10-16(21)18(23-2)9-12(13)5-6-19-14/h3-4,8-10,14,19-21H,5-7H2,1-2H3/p+1
InChIKeyWQTCGADWPORGNB-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
nororientalinium(1+) (CHEBI:57996) is a ammonium ion derivative (CHEBI:35274)
nororientalinium(1+) (CHEBI:57996) is a organic cation (CHEBI:25697)
nororientalinium(1+) (CHEBI:57996) is conjugate acid of nororientaline (CHEBI:17048)
Incoming Relation(s)
nororientaline (CHEBI:17048) is conjugate base of nororientalinium(1+) (CHEBI:57996)
IUPAC Name 
7-hydroxy-1-(4-hydroxy-3-methoxybenzyl)-6-methoxy-1,2,3,4-tetrahydroisoquinolinium
Synonyms  Source
nororientalinium cationChEBI
nororientaliniumChEBI
UniProt Name  Source
nororientalineUniProt