2-[1-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]piperidin-4-yl]-1H-benzimidazole

Systemtic Name: 2-[1-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]piperidin-4-yl]-1H-benzimidazole Openeye Name: 2-[1-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]-4-piperidyl]-1H-benzimidazole CAS Name: 2-[1-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitrophenyl]-4-piperidinyl]-1H-benzimidazole IUPAC Name: 2-[1-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitrophenyl]piperidin-4-yl]-1H-benzimidazole Traditional Name: 2-[1-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]-4-piperidyl]-1H-benzimidazole Formula: C23H29N6O4S+ MolecularWeight: 485.57916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCC(CC3)C4=NC5=CC=CC=C5N4)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCC(CC3)C4=NC5=CC=CC=C5N4)[N+](=O)[O-]

InChI

InChI=1S/C23H28N6O4S/c1-26-12-14-28(15-13-26)34(32,33)18-6-7-21(22(16-18)29(30)31)27-10-8-17(9-11-27)23-24-19-4-2-3-5-20(19)25-23/h2-7,16-17H,8-15H2,1H3,(H,24,25)/p+1