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CHEBI:180503 - chlorprothixene(1+)
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ChEBI Name
chlorprothixene(1+)
ChEBI ID
CHEBI:180503
Definition
A tertiary ammonium ion that is the conjugate acid of chlorprothixene resulting from the protonation of the tertiary amino group; major species at pH 7.3.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C18H19ClNS
Net Charge
+1
Average Mass
316.870
Monoisotopic Mass
316.09212
InChI
InChI=1S/C18H18ClNS/c1-
20(2)
11-
5-
7-
14-
15-
6-
3-
4-
8-
17(15)
21-
18-
10-
9-
13(19)
12-
16(14)
18/h3-
4,6-
10,12H,5,11H2,1-
2H3/p+1
InChIKey
WSPOMRSOLSGNFJ-UHFFFAOYSA-O
SMILES
[H]C(CC[NH+](C)C)=C1C2=CC(Cl)=CC=C2SC2=C1C=CC=C2
ChEBI Ontology
Outgoing
chlorprothixene(1+) (
CHEBI:180503
)
is a
tertiary ammonium ion (
CHEBI:137982
)
chlorprothixene(1+) (
CHEBI:180503
)
is conjugate acid of
chlorprothixene (
CHEBI:3651
)
Incoming
chlorprothixene hydrochloride (
CHEBI:180502
)
has part
chlorprothixene(1+) (
CHEBI:180503
)
chlorprothixene (
CHEBI:3651
)
is conjugate base of
chlorprothixene(1+) (
CHEBI:180503
)
IUPAC Name
3-(2-chloro-9
H
-thioxanthen-9-ylidene)-
N
,
N
-dimethylpropan-1-aminium
Synonym
Source
chlorprothixene cation
ChEBI
Last Modified
23 September 2021