Molecule ID: 6921705

IUPAC Name: 2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-3-ium-2-yl)benzene-1,4-diamine

Description: The molecule is a guanidinium ion that is the conjugate acid of apraclonidine, obtained by protonation of the guanidino group. Major microspecies at pH 7.3. It is a conjugate acid of an apraclonidine.

SMILES: [NH3+]c1cc(Cl)c(NC2=NCCN2)c(Cl)c1

SELFIES: [NH3+1][C][=C][C][Branch1][C][Cl][=C][Branch1][=Branch2][N][C][=N][C][C][N][Ring1][Branch1][C][Branch1][C][Cl][=C][Ring1][=C]

InChI: InChI=1S/C9H10Cl2N4/c10-6-3-5(12)4-7(11)8(6)15-9-13-1-2-14-9/h3-4H,1-2,12H2,(H2,13,14,15)/p+1

Molecular Properties:
- Polar Surface Area: 64.0 Ų
- LogP: 1.3