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

Systemtic Name: 1-methyl-2-[2-[4-(4-methylphenyl)piperazin-1-ium-1-yl]ethyl]-5-nitro-benzimidazole Openeye Name: 1-methyl-5-nitro-2-[2-[4-(p-tolyl)piperazin-1-ium-1-yl]ethyl]benzimidazole CAS Name: 1-methyl-2-[2-[4-(4-methylphenyl)-1-piperazin-1-iumyl]ethyl]-5-nitrobenzimidazole IUPAC Name: 1-methyl-2-[2-[4-(4-methylphenyl)piperazin-1-ium-1-yl]ethyl]-5-nitrobenzimidazole Traditional Name: 1-methyl-5-nitro-2-[2-[4-(p-tolyl)piperazin-1-ium-1-yl]ethyl]benzimidazole Formula: C21H26N5O2+ MolecularWeight: 380.46344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O2/c1-16-3-5-17(6-4-16)25-13-11-24(12-14-25)10-9-21-22-19-15-18(26(27)28)7-8-20(19)23(21)2/h3-8,15H,9-14H2,1-2H3/p+1