N-[(Z)-[2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-phenyl]methylideneamino]pyridine-3-carboxamide

Systemtic Name: N-[(Z)-[2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-phenyl]methylideneamino]pyridine-3-carboxamide Openeye Name: N-[(Z)-[2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-phenyl]methyleneamino]pyridine-3-carboxamide CAS Name: N-[(Z)-[2-(4-methyl-1-piperazin-4-iumyl)-5-nitrophenyl]methylideneamino]-3-pyridinecarboxamide IUPAC Name: N-[(Z)-[2-(4-methylpiperazin-4-ium-1-yl)-5-nitrophenyl]methylideneamino]pyridine-3-carboxamide Traditional Name: N-[(Z)-[2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-benzylidene]amino]nicotinamide Formula: C18H21N6O3+ MolecularWeight: 369.39774

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C=NNC(=O)C3=CN=CC=C3

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])/C=N\NC(=O)C3=CN=CC=C3

InChI

InChI=1S/C18H20N6O3/c1-22-7-9-23(10-8-22)17-5-4-16(24(26)27)11-15(17)13-20-21-18(25)14-3-2-6-19-12-14/h2-6,11-13H,7-10H2,1H3,(H,21,25)/p+1/b20-13-