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InChI=1S/CH4O/c1-2/h2H,1H3
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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.
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This entity has been manually annotated by the ChEBI Team.
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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
(3
S
,4
R
)-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