CHEBI:64197 - paroxetinium(1+)

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ChEBI Name paroxetinium(1+)
ChEBI ID CHEBI:64197
Definition An organic cation that is the conjugate acid of paroxetine, arising from protonation of the piperidine nitrogen.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C19H21FNO3
Net Charge +1
Average Mass 330.37330
Monoisotopic Mass 330.15000
InChI InChI=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
InChIKey AHOUBRCZNHFOSL-YOEHRIQHSA-O
SMILES [H][C@]1(CC[NH2+]C[C@H]1COc1ccc2OCOc2c1)c1ccc(F)cc1
ChEBI Ontology
Outgoing 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 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 Sources
paroxetine cation ChEBI
paroxetine(1+) ChEBI
paroxetinium cation ChEBI
Last Modified
18 October 2019