(Z)-2-(1H-benzimidazol-2-yl)-3-[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-phenyl]prop-2-enenitrile

Systemtic Name: (Z)-2-(1H-benzimidazol-2-yl)-3-[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-phenyl]prop-2-enenitrile Openeye Name: (Z)-2-(1H-benzimidazol-2-yl)-3-[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-phenyl]prop-2-enenitrile CAS Name: (Z)-2-(1H-benzimidazol-2-yl)-3-[4-(4-methyl-1-piperazin-4-iumyl)-3-nitrophenyl]-2-propenenitrile IUPAC Name: (Z)-2-(1H-benzimidazol-2-yl)-3-[4-(4-methylpiperazin-4-ium-1-yl)-3-nitrophenyl]prop-2-enenitrile Traditional Name: (Z)-2-(1H-benzimidazol-2-yl)-3-[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-phenyl]acrylonitrile Formula: C21H21N6O2+ MolecularWeight: 389.43044

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C=C(C#N)C3=NC4=CC=CC=C4N3)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)/C=C(/C#N)\C3=NC4=CC=CC=C4N3)[N+](=O)[O-]

InChI

InChI=1S/C21H20N6O2/c1-25-8-10-26(11-9-25)19-7-6-15(13-20(19)27(28)29)12-16(14-22)21-23-17-4-2-3-5-18(17)24-21/h2-7,12-13H,8-11H2,1H3,(H,23,24)/p+1/b16-12-