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CHEBI:64197 - paroxetinium(1+)

ChEBI IDCHEBI:64197
ChEBI Nameparoxetinium(1+)
Stars
DefinitionAn organic cation that is the conjugate acid of paroxetine, arising from protonation of the piperidine nitrogen.
Last Modified18 October 2019
SubmitterSteve
DownloadsMolfile
FormulaC19H21FNO3
Net Charge+1
Average Mass330.379
Monoisotopic Mass330.15000
SMILES[H][C@@]1(c2ccc(F)cc2)CC[NH2+]C[C@H]1COc1ccc2c(c1)OCO2
InChIInChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/p+1/t14-,17-/m0/s1
InChIKeyAHOUBRCZNHFOSL-YOEHRIQHSA-O
ChEBI Ontology
Outgoing Relation(s)
paroxetinium(1+) (CHEBI:64197) is a ammonium ion derivative (CHEBI:35274)
paroxetinium(1+) (CHEBI:64197) is a organic cation (CHEBI:25697)
paroxetinium(1+) (CHEBI:64197) is conjugate acid of paroxetine (CHEBI:7936)
Incoming Relation(s)
paroxetine hydrochloride (CHEBI:7944) has part paroxetinium(1+) (CHEBI:64197)
paroxetine maleate (CHEBI:64194) has part paroxetinium(1+) (CHEBI:64197)
paroxetine (CHEBI:7936) is conjugate base of paroxetinium(1+) (CHEBI:64197)
IUPAC Name 
(3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidinium
Synonyms  Source
paroxetine cationChEBI
paroxetinium cationChEBI
paroxetine(1+)ChEBI