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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:145498 - donepezil (1+)
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ChEBI Ontology
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ChEBI Name
donepezil (1+)
ChEBI ID
CHEBI:145498
Definition
A piperidinium ion resulting from the protonation of amino group of donepezil.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C24H30NO3
Net Charge
+1
Average Mass
380.507
Monoisotopic Mass
380.22202
InChI
InChI=1S/C24H29NO3/c1-
27-
22-
14-
19-
13-
20(24(26)
21(19)
15-
23(22)
28-
2)
12-
17-
8-
10-
25(11-
9-
17)
16-
18-
6-
4-
3-
5-
7-
18/h3-
7,14-
15,17,20H,8-
13,16H2,1-
2H3/p+1
InChIKey
ADEBPBSSDYVVLD-UHFFFAOYSA-O
SMILES
C1(=C(C=C2C(=C1)CC(C2=O)(CC3CC[NH+](CC3)CC4=CC=CC=C4)[H])OC)OC
ChEBI Ontology
Outgoing
donepezil (1+) (
CHEBI:145498
)
is a
piperidinium ion (
CHEBI:48633
)
donepezil (1+) (
CHEBI:145498
)
is conjugate acid of
donepezil (
CHEBI:53289
)
Incoming
donepezil (
CHEBI:53289
)
is conjugate base of
donepezil (1+) (
CHEBI:145498
)
IUPAC Name
1-benzyl-4-[(5,6-dimethoxy-1-oxo-2,3-dihydro-1
H
-inden-2-yl)methyl]piperidinium
Last Modified
26 November 2019