Molecule ID: 26985716

IUPAC Name: 1-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-1-ium-4-yl)-3-[[4-(2-methylpropoxy)phenyl]methyl]urea

Description: The molecule is a piperidinium ion obtained by protonation of the piperidine nitrogen of pimavanserin. It is a conjugate acid of a pimavanserin.

SMILES: CC(C)COc1ccc(C[NH+]=C(O)N(Cc2ccc(F)cc2)C2CCN(C)CC2)cc1

SELFIES: [C][C][Branch1][C][C][C][O][C][=C][C][=C][Branch2][Ring1][P][C][NH1+1][=C][Branch1][C][O][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][Ring2][Ring1][#Branch2]

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

Molecular Properties:
- Polar Surface Area: 46.0 Ų
- LogP: 4.5