3-[2-(4-methylphenyl)-4H-imidazo[1,2-a]benzimidazol-9-ium-3-yl]propyl-propan-2-yl-azanium dichloride

Systemtic Name: 3-[2-(4-methylphenyl)-4H-imidazo[1,2-a]benzimidazol-9-ium-3-yl]propyl-propan-2-yl-azanium dichloride Openeye Name: isopropyl-[3-[2-(p-tolyl)-4H-imidazo[1,2-a]benzimidazol-9-ium-3-yl]propyl]ammonium dichloride CAS Name: 3-[2-(4-methylphenyl)-4H-imidazo[1,2-a]benzimidazol-9-ium-3-yl]propyl-propan-2-ylammonium dichloride IUPAC Name: 3-[2-(4-methylphenyl)-4H-imidazo[1,2-a]benzimidazol-9-ium-3-yl]propyl-propan-2-ylazanium dichloride Traditional Name: isopropyl-[3-[2-(p-tolyl)-4H-imidazo[1,2-a]benzimidazol-9-ium-3-yl]propyl]ammonium dichloride Formula: C22H28Cl2N4 MolecularWeight: 419.39052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C[N+]3=C(N2CCC[NH2+]C(C)C)NC4=CC=CC=C43.[Cl-].[Cl-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=C[N+]3=C(N2CCC[NH2+]C(C)C)NC4=CC=CC=C43.[Cl-].[Cl-]

InChI

InChI=1S/C22H26N4.2ClH/c1-16(2)23-13-6-14-25-21(18-11-9-17(3)10-12-18)15-26-20-8-5-4-7-19(20)24-22(25)26;;/h4-5,7-12,15-16,23H,6,13-14H2,1-3H3;2*1H