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CHEBI:147283 - cinanserin(1+)

ChEBI IDCHEBI:147283
ChEBI Namecinanserin(1+)
Stars
DefinitionAn ammonium ion derivative that is the conjugate acid of cinanserin, obtained by the protonation of the tertiary amino group. It is the major microspecies at pH 7.3.
Last Modified18 March 2020
SubmitterAdnan
DownloadsMolfile
FormulaC20H25N2OS
Net Charge+1
Average Mass341.500
Monoisotopic Mass341.16821
SMILESC[NH+](C)CCCSc1ccccc1NC(=O)/C=C/c1ccccc1
InChIInChI=1S/C20H24N2OS/c1-22(2)15-8-16-24-19-12-7-6-11-18(19)21-20(23)14-13-17-9-4-3-5-10-17/h3-7,9-14H,8,15-16H2,1-2H3,(H,21,23)/p+1/b14-13+
InChIKeyRSUVYMGADVXGOU-BUHFOSPRSA-O
ChEBI Ontology
Outgoing Relation(s)
cinanserin(1+) (CHEBI:147283) is a ammonium ion derivative (CHEBI:35274)
cinanserin(1+) (CHEBI:147283) is conjugate acid of cinanserin (CHEBI:145999)
Incoming Relation(s)
cinanserin hydrochloride (CHEBI:147284) has part cinanserin(1+) (CHEBI:147283)
cinanserin (CHEBI:145999) is conjugate base of cinanserin(1+) (CHEBI:147283)
IUPAC Name 
N,N-dimethyl-3-[(2-{[(2E)-3-phenylprop-2-enoyl]amino}phenyl)sulfanyl]propan-1-aminium
Synonym  Source
dimethyl-[3-[2-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanylpropyl]azaniumChEBI