N-[1,3-dimethyl-6-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-benzimidazol-5-yl]pyridine-3-carboxamide

Systemtic Name: N-[1,3-dimethyl-6-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-benzimidazol-5-yl]pyridine-3-carboxamide Openeye Name: N-[1,3-dimethyl-6-(4-methylpiperazin-4-ium-1-yl)-2-oxo-benzimidazol-5-yl]pyridine-3-carboxamide CAS Name: N-[1,3-dimethyl-6-(4-methyl-1-piperazin-4-iumyl)-2-oxo-5-benzimidazolyl]-3-pyridinecarboxamide IUPAC Name: N-[1,3-dimethyl-6-(4-methylpiperazin-4-ium-1-yl)-2-oxobenzimidazol-5-yl]pyridine-3-carboxamide Traditional Name: N-[2-keto-1,3-dimethyl-6-(4-methylpiperazin-4-ium-1-yl)benzimidazol-5-yl]nicotinamide Formula: C20H25N6O2+ MolecularWeight: 381.4515

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C3C(=C2)N(C(=O)N3C)C)NC(=O)C4=CN=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C3C(=C2)N(C(=O)N3C)C)NC(=O)C4=CN=CC=C4

InChI

InChI=1S/C20H24N6O2/c1-23-7-9-26(10-8-23)16-12-18-17(24(2)20(28)25(18)3)11-15(16)22-19(27)14-5-4-6-21-13-14/h4-6,11-13H,7-10H2,1-3H3,(H,22,27)/p+1