Molecule ID: 5229

IUPAC Name: 3-[2-(4-methoxyphenyl)-2-[3-(4-methoxyphenyl)propoxy]ethyl]-1H-imidazol-3-ium

Description: The molecule is an organic cation obtained by protonation of the imidazole group of SKF-96365 free base. It is a conjugate acid of a SKF-96365. free base.

SMILES: COc1ccc(CCCOC(Cn2cc[nH+]c2)c2ccc(OC)cc2)cc1

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

InChI: InChI=1S/C22H26N2O3/c1-25-20-9-5-18(6-10-20)4-3-15-27-22(16-24-14-13-23-17-24)19-7-11-21(26-2)12-8-19/h5-14,17,22H,3-4,15-16H2,1-2H3/p+1

Molecular Properties:
- Polar Surface Area: 47.4 Ų
- LogP: 3.8