2-[[4-(2-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1H-benzimidazole

Systemtic Name: 2-[[4-(2-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1H-benzimidazole Openeye Name: 2-[[4-(2-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1H-benzimidazole CAS Name: 2-[[4-(2-nitrophenyl)-1-piperazin-1-iumyl]methyl]-1H-benzimidazole IUPAC Name: 2-[[4-(2-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1H-benzimidazole Traditional Name: 2-[[4-(2-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1H-benzimidazole Formula: C18H20N5O2+ MolecularWeight: 338.3837

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3N2)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3N2)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C18H19N5O2/c24-23(25)17-8-4-3-7-16(17)22-11-9-21(10-12-22)13-18-19-14-5-1-2-6-15(14)20-18/h1-8H,9-13H2,(H,19,20)/p+1