N-[1-methyl-2-[2-(4-methylpiperazin-4-ium-1-yl)ethyl]benzimidazol-5-yl]-3-nitro-benzamide

Systemtic Name: N-[1-methyl-2-[2-(4-methylpiperazin-4-ium-1-yl)ethyl]benzimidazol-5-yl]-3-nitro-benzamide Openeye Name: N-[1-methyl-2-[2-(4-methylpiperazin-4-ium-1-yl)ethyl]benzimidazol-5-yl]-3-nitro-benzamide CAS Name: N-[1-methyl-2-[2-(4-methyl-1-piperazin-4-iumyl)ethyl]-5-benzimidazolyl]-3-nitrobenzamide IUPAC Name: N-[1-methyl-2-[2-(4-methylpiperazin-4-ium-1-yl)ethyl]benzimidazol-5-yl]-3-nitrobenzamide Traditional Name: N-[1-methyl-2-[2-(4-methylpiperazin-4-ium-1-yl)ethyl]benzimidazol-5-yl]-3-nitro-benzamide Formula: C22H27N6O3+ MolecularWeight: 423.48818

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CCC2=NC3=C(N2C)C=CC(=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)CCC2=NC3=C(N2C)C=CC(=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H26N6O3/c1-25-10-12-27(13-11-25)9-8-21-24-19-15-17(6-7-20(19)26(21)2)23-22(29)16-4-3-5-18(14-16)28(30)31/h3-7,14-15H,8-13H2,1-2H3,(H,23,29)/p+1