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

Systemtic Name: 3-[2-(4-methylphenyl)-4H-imidazo[1,2-a]benzimidazol-9-ium-3-yl]propyl-propan-2-yl-azanium Openeye Name: isopropyl-[3-[2-(p-tolyl)-4H-imidazo[1,2-a]benzimidazol-9-ium-3-yl]propyl]ammonium CAS Name: 3-[2-(4-methylphenyl)-4H-imidazo[1,2-a]benzimidazol-9-ium-3-yl]propyl-propan-2-ylammonium IUPAC Name: 3-[2-(4-methylphenyl)-4H-imidazo[1,2-a]benzimidazol-9-ium-3-yl]propyl-propan-2-ylazanium Traditional Name: isopropyl-[3-[2-(p-tolyl)-4H-imidazo[1,2-a]benzimidazol-9-ium-3-yl]propyl]ammonium Formula: C22H28N4+2 MolecularWeight: 348.48452

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4/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/p+2