2-(4-methylphenyl)-3-(2-piperidin-1-ium-1-ylethyl)-4H-imidazo[1,2-a]benzimidazol-9-ium

Systemtic Name: 2-(4-methylphenyl)-3-(2-piperidin-1-ium-1-ylethyl)-4H-imidazo[1,2-a]benzimidazol-9-ium Openeye Name: 3-(2-piperidin-1-ium-1-ylethyl)-2-(p-tolyl)-4H-imidazo[1,2-a]benzimidazol-9-ium CAS Name: 2-(4-methylphenyl)-3-[2-(1-piperidin-1-iumyl)ethyl]-4H-imidazo[1,2-a]benzimidazol-9-ium IUPAC Name: 2-(4-methylphenyl)-3-(2-piperidin-1-ium-1-ylethyl)-4H-imidazo[1,2-a]benzimidazol-9-ium Traditional Name: 3-(2-piperidin-1-ium-1-ylethyl)-2-(p-tolyl)-4H-imidazo[1,2-a]benzimidazol-9-ium Formula: C23H28N4+2 MolecularWeight: 360.49522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C[N+]3=C(N2CC[NH+]4CCCCC4)NC5=CC=CC=C53

Isomeric SMILES

CC1=CC=C(C=C1)C2=C[N+]3=C(N2CC[NH+]4CCCCC4)NC5=CC=CC=C53

InChI

InChI=1S/C23H26N4/c1-18-9-11-19(12-10-18)22-17-27-21-8-4-3-7-20(21)24-23(27)26(22)16-15-25-13-5-2-6-14-25/h3-4,7-12,17H,2,5-6,13-16H2,1H3/p+2