Molecule ID: 86289684

IUPAC Name: 1-[4-(4-fluorophenyl)-4-oxobutyl]-4-piperidin-1-ium-1-ylpiperidin-1-ium-4-carboxamide

Description: The molecule is an ammonium ion resulting from the protonation of both of the tertiary amino groups of pipamperone. It is a conjugate acid of a pipamperone.

SMILES: [NH2+]=C(O)C1(N2CCCCC2)CC[NH+](CCCC(=O)c2ccc(F)cc2)CC1

SELFIES: [NH2+1][=C][Branch1][C][O][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][NH1+1][Branch2][Ring1][Ring1][C][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][Branch2]

InChI: InChI=1S/C21H30FN3O2/c22-18-8-6-17(7-9-18)19(26)5-4-12-24-15-10-21(11-16-24,20(23)27)25-13-2-1-3-14-25/h6-9H,1-5,10-16H2,(H2,23,27)/p+2

Molecular Properties:
- Polar Surface Area: 69.0 Ų
- LogP: 2.0