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CHEBI:140417 - ketotifen(1+)

ChEBI IDCHEBI:140417
ChEBI Nameketotifen(1+)
Stars
DefinitionAn ammonium ion resulting from the protonation of the tertiary amino group of ketotifen.
Last Modified13 March 2018
SubmitterGareth Owen
DownloadsMolfile
FormulaC19H20NOS
Net Charge+1
Average Mass310.442
Monoisotopic Mass310.12601
SMILESC[NH+]1CCC(=C2c3ccccc3CC(=O)c3sccc32)CC1
InChIInChI=1S/C19H19NOS/c1-20-9-6-13(7-10-20)18-15-5-3-2-4-14(15)12-17(21)19-16(18)8-11-22-19/h2-5,8,11H,6-7,9-10,12H2,1H3/p+1
InChIKeyZCVMWBYGMWKGHF-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
ketotifen(1+) (CHEBI:140417) is a ammonium ion derivative (CHEBI:35274)
ketotifen(1+) (CHEBI:140417) is conjugate acid of ketotifen (CHEBI:92511)
Incoming Relation(s)
ketotifen fumarate (CHEBI:31750) has part ketotifen(1+) (CHEBI:140417)
ketotifen (CHEBI:92511) is conjugate base of ketotifen(1+) (CHEBI:140417)
IUPAC Name 
1-methyl-4-(10-oxo-9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-ylidene)piperidinium