2-cyano-N-[(Z)-[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-phenyl]methylideneamino]ethanamide

Systemtic Name: 2-cyano-N-[(Z)-[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-phenyl]methylideneamino]ethanamide Openeye Name: 2-cyano-N-[(Z)-[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-phenyl]methyleneamino]acetamide CAS Name: 2-cyano-N-[(Z)-[4-(4-methyl-1-piperazin-4-iumyl)-3-nitrophenyl]methylideneamino]acetamide IUPAC Name: 2-cyano-N-[(Z)-[4-(4-methylpiperazin-4-ium-1-yl)-3-nitrophenyl]methylideneamino]acetamide Traditional Name: 2-cyano-N-[(Z)-[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzylidene]amino]acetamide Formula: C15H19N6O3+ MolecularWeight: 331.34976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N6O3/c1-19-6-8-20(9-7-19)13-3-2-12(10-14(13)21(23)24)11-17-18-15(22)4-5-16/h2-3,10-11H,4,6-9H2,1H3,(H,18,22)/p+1/b17-11-