Molecule ID: 56927865

IUPAC Name: 3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-1,1-diphenylpropan-2-ol

Description: The molecule is an organic cation that is the conjugate acid of 3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1-diphenylpropan-2-ol, arising from selective protonation of one of the piperazine nitrogens. It is an ammonium ion derivative and an organic cation. It is a conjugate acid of a 3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1-diphenylpropan-2-ol.

SMILES: OC(C[NH+]1CCN(c2cccc(Cl)c2)CC1)C(c1ccccc1)c1ccccc1

SELFIES: [O][C][Branch2][Ring1][#Branch1][C][NH1+1][C][C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][Ring1][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]

InChI: InChI=1S/C25H27ClN2O/c26-22-12-7-13-23(18-22)28-16-14-27(15-17-28)19-24(29)25(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-13,18,24-25,29H,14-17,19H2/p+1

Molecular Properties:
- Polar Surface Area: 27.9 Ų
- LogP: 5.3