CHEBI:133020 - pimavanserin(1+)

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ChEBI Name pimavanserin(1+) ChEBI ID CHEBI:133020 Definition A piperidinium ion obtained by protonation of the piperidine nitrogen of pimavanserin. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C25H35FN3O2 Net Charge +1 Average Mass 428.564 Monoisotopic Mass 428.27078 InChI InChI=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 InChIKey RKEWSXXUOLRFBX-UHFFFAOYSA-O SMILES C1=C(C=CC(=C1)CNC(N(C2CC[NH+](CC2)C)CC3=CC=C(C=C3)F)=O)OCC(C)C ChEBI Ontology Outgoing pimavanserin(1+) (CHEBI:133020) is a piperidinium ion (CHEBI:48633) pimavanserin(1+) (CHEBI:133020) is conjugate acid of pimavanserin (CHEBI:133017) Incoming 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 cation ChEBI Last Modified 16 August 2016