Molecule ID: 56927939

IUPAC Name: 1-(2-benzhydryloxyethyl)-4-(3-phenylpropyl)piperazine-1,4-diium

Description: The molecule is an organic cation obtained by protonation of the two tertiary amino functions of 1-[2-(benzhydryloxy)ethyl]-4-(3-phenylpropyl)piperazine. It is an organic cation and an ammonium ion derivative. It is a conjugate acid of a 1-[2-(benzhydryloxy)ethyl]-4-(3-phenylpropyl)piperazine.

SMILES: c1ccc(CCC[NH+]2CC[NH+](CCOC(c3ccccc3)c3ccccc3)CC2)cc1

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

InChI: InChI=1S/C28H34N2O/c1-4-11-25(12-5-1)13-10-18-29-19-21-30(22-20-29)23-24-31-28(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-9,11-12,14-17,28H,10,13,18-24H2/p+2

Molecular Properties:
- Polar Surface Area: 18.1 Ų
- LogP: 5.4