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CHEBI:180503 - chlorprothixene(1+)

Default Structure
ChEBI IDCHEBI:180503
ChEBI Namechlorprothixene(1+)
Stars
DefinitionA 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.
Last Modified23 September 2021
SubmitterAdnan
DownloadsMolfile
FormulaC18H19ClNS
Net Charge+1
Average Mass316.877
Monoisotopic Mass316.09212
SMILES[H]C(CC[NH+](C)C)=C1c2ccccc2Sc2ccc(Cl)cc21
InChIInChI=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
InChIKeyWSPOMRSOLSGNFJ-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
chlorprothixene(1+) (CHEBI:180503) is a tertiary ammonium ion (CHEBI:137982)
chlorprothixene(1+) (CHEBI:180503) is conjugate acid of chlorprothixene (CHEBI:3651)
Incoming Relation(s)
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-9H-thioxanthen-9-ylidene)-N,N-dimethylpropan-1-aminium
Synonym  Source
chlorprothixene cationChEBI