1-methyl-6-nitro-2-[(1E,3E)-5-[4-(phenylmethyl)piperazin-1-ium-1-yl]penta-1,3-dienyl]benzimidazole

Systemtic Name: 1-methyl-6-nitro-2-[(1E,3E)-5-[4-(phenylmethyl)piperazin-1-ium-1-yl]penta-1,3-dienyl]benzimidazole Openeye Name: 2-[(1E,3E)-5-(4-benzylpiperazin-1-ium-1-yl)penta-1,3-dienyl]-1-methyl-6-nitro-benzimidazole CAS Name: 1-methyl-6-nitro-2-[(1E,3E)-5-[4-(phenylmethyl)-1-piperazin-1-iumyl]penta-1,3-dienyl]benzimidazole IUPAC Name: 2-[(1E,3E)-5-(4-benzylpiperazin-1-ium-1-yl)penta-1,3-dienyl]-1-methyl-6-nitrobenzimidazole Traditional Name: 2-[(1E,3E)-5-(4-benzylpiperazin-1-ium-1-yl)penta-1,3-dienyl]-1-methyl-6-nitro-benzimidazole Formula: C24H28N5O2+ MolecularWeight: 418.51142

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)[N+](=O)[O-])N=C1C=CC=CC[NH+]3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C=CC(=C2)[N+](=O)[O-])N=C1/C=C/C=C/C[NH+]3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H27N5O2/c1-26-23-18-21(29(30)31)11-12-22(23)25-24(26)10-6-3-7-13-27-14-16-28(17-15-27)19-20-8-4-2-5-9-20/h2-12,18H,13-17,19H2,1H3/p+1/b7-3+,10-6+