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CHEBI:133020 - pimavanserin(1+)

ChEBI IDCHEBI:133020
ChEBI Namepimavanserin(1+)
Stars
DefinitionA piperidinium ion obtained by protonation of the piperidine nitrogen of pimavanserin.
Last Modified16 August 2016
SubmitterSteve
DownloadsMolfile
FormulaC25H35FN3O2
Net Charge+1
Average Mass428.572
Monoisotopic Mass428.27078
SMILESCC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)C2CC[NH+](C)CC2)cc1
InChIInChI=1S/C25H34FN3O2/c1-19(2)18-31-24-10-6-20(7-11-24)16-27-25(30)29(23-12-14-28(3)15-13-23)17-21-4-8-22(26)9-5-21/h4-11,19,23H,12-18H2,1-3H3,(H,27,30)/p+1
InChIKeyRKEWSXXUOLRFBX-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
pimavanserin(1+) (CHEBI:133020) is a piperidinium ion (CHEBI:48633)
pimavanserin(1+) (CHEBI:133020) is conjugate acid of pimavanserin (CHEBI:133017)
Incoming Relation(s)
pimavanserin tartrate (CHEBI:133014) has part pimavanserin(1+) (CHEBI:133020)
pimavanserin (CHEBI:133017) is conjugate base of pimavanserin(1+) (CHEBI:133020)
IUPAC Name 
4-{[(4-fluorophenyl)methyl]({[4-(2-methylpropoxy)phenyl]methyl}carbamoyl)amino}-1-methylpiperidin-1-ium
Synonym  Source
pimavanserin cationChEBI