(4Z)-5-methyl-4-[[(4-methylpiperazin-4-ium-1-yl)amino]methylidene]-2-(4-nitrophenyl)pyrazol-3-one

Systemtic Name: (4Z)-5-methyl-4-[[(4-methylpiperazin-4-ium-1-yl)amino]methylidene]-2-(4-nitrophenyl)pyrazol-3-one Openeye Name: (4Z)-5-methyl-4-[[(4-methylpiperazin-4-ium-1-yl)amino]methylene]-2-(4-nitrophenyl)pyrazol-3-one CAS Name: (4Z)-5-methyl-4-[[(4-methyl-1-piperazin-4-iumyl)amino]methylidene]-2-(4-nitrophenyl)-3-pyrazolone IUPAC Name: (4Z)-5-methyl-4-[[(4-methylpiperazin-4-ium-1-yl)amino]methylidene]-2-(4-nitrophenyl)pyrazol-3-one Traditional Name: (4Z)-5-methyl-4-[[(4-methylpiperazin-4-ium-1-yl)amino]methylene]-2-(4-nitrophenyl)-2-pyrazolin-3-one Formula: C16H21N6O3+ MolecularWeight: 345.37634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CNN2CC[NH+](CC2)C)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC\1=NN(C(=O)/C1=C\NN2CC[NH+](CC2)C)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H20N6O3/c1-12-15(11-17-20-9-7-19(2)8-10-20)16(23)21(18-12)13-3-5-14(6-4-13)22(24)25/h3-6,11,17H,7-10H2,1-2H3/p+1/b15-11-