N-(1H-benzimidazol-2-yl)-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide

Systemtic Name: N-(1H-benzimidazol-2-yl)-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide Openeye Name: N-(1H-benzimidazol-2-yl)-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide CAS Name: N-(1H-benzimidazol-2-yl)-4-(4-methyl-1-piperazin-4-iumyl)-3-nitrobenzamide IUPAC Name: N-(1H-benzimidazol-2-yl)-4-(4-methylpiperazin-4-ium-1-yl)-3-nitrobenzamide Traditional Name: N-(1H-benzimidazol-2-yl)-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide Formula: C19H21N6O3+ MolecularWeight: 381.40844

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=NC4=CC=CC=C4N3)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=NC4=CC=CC=C4N3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N6O3/c1-23-8-10-24(11-9-23)16-7-6-13(12-17(16)25(27)28)18(26)22-19-20-14-4-2-3-5-15(14)21-19/h2-7,12H,8-11H2,1H3,(H2,20,21,22,26)/p+1