Molecule ID: 86290061

IUPAC Name: 3-[4-(2-ethoxy-2-phenylethyl)piperazine-1,4-diium-1-yl]-2-methyl-1-phenylpropan-1-one

Description: The molecule is an organic cation obtained by protonation of the two tertiary amino groups of eprazinone. It is an organic cation and an ammonium ion derivative. It is a conjugate acid of an eprazinone.

SMILES: CCOC(C[NH+]1CC[NH+](CC(C)C(=O)c2ccccc2)CC1)c1ccccc1

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

InChI: InChI=1S/C24H32N2O2/c1-3-28-23(21-10-6-4-7-11-21)19-26-16-14-25(15-17-26)18-20(2)24(27)22-12-8-5-9-13-22/h4-13,20,23H,3,14-19H2,1-2H3/p+2

Molecular Properties:
- Polar Surface Area: 35.2 Ų
- LogP: 3.7