N-[1-methyl-2-[2-[4-(4-methylphenyl)piperazin-1-ium-1-yl]ethyl]benzimidazol-5-yl]-4-nitro-benzamide

Systemtic Name: N-[1-methyl-2-[2-[4-(4-methylphenyl)piperazin-1-ium-1-yl]ethyl]benzimidazol-5-yl]-4-nitro-benzamide Openeye Name: N-[1-methyl-2-[2-[4-(p-tolyl)piperazin-1-ium-1-yl]ethyl]benzimidazol-5-yl]-4-nitro-benzamide CAS Name: N-[1-methyl-2-[2-[4-(4-methylphenyl)-1-piperazin-1-iumyl]ethyl]-5-benzimidazolyl]-4-nitrobenzamide IUPAC Name: N-[1-methyl-2-[2-[4-(4-methylphenyl)piperazin-1-ium-1-yl]ethyl]benzimidazol-5-yl]-4-nitrobenzamide Traditional Name: N-[1-methyl-2-[2-[4-(p-tolyl)piperazin-1-ium-1-yl]ethyl]benzimidazol-5-yl]-4-nitro-benzamide Formula: C28H31N6O3+ MolecularWeight: 499.58414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CC[NH+](CC2)CCC3=NC4=C(N3C)C=CC(=C4)NC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N2CC[NH+](CC2)CCC3=NC4=C(N3C)C=CC(=C4)NC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C28H30N6O3/c1-20-3-8-23(9-4-20)33-17-15-32(16-18-33)14-13-27-30-25-19-22(7-12-26(25)31(27)2)29-28(35)21-5-10-24(11-6-21)34(36)37/h3-12,19H,13-18H2,1-2H3,(H,29,35)/p+1