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CHEBI:183638 - ketanserin(1+)

ChEBI IDCHEBI:183638
ChEBI Nameketanserin(1+)
Stars
DefinitionA piperidinium ion obtained by protonation of the piperidine nitrogen of ketanserin; major microspecies at pH 7.3.
Last Modified9 November 2021
SubmitterAdnan
DownloadsMolfile
FormulaC22H23FN3O3
Net Charge+1
Average Mass396.442
Monoisotopic Mass396.17180
SMILESO=C(c1ccc(F)cc1)C1CC[NH+](CCn2c(=O)nc3ccccc3c2=O)CC1
InChIInChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)/p+1
InChIKeyFPCCSQOGAWCVBH-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
ketanserin(1+) (CHEBI:183638) is a piperidinium ion (CHEBI:48633)
ketanserin(1+) (CHEBI:183638) is conjugate acid of ketanserin (CHEBI:6123)
Incoming Relation(s)
ketanserin tartrate (CHEBI:183637) has part ketanserin(1+) (CHEBI:183638)
ketanserin (CHEBI:6123) is conjugate base of ketanserin(1+) (CHEBI:183638)
IUPAC Name 
1-[2-(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)ethyl]-4-(4-fluorobenzoyl)piperidinium
Synonym  Source
ketanserin cationChEBI