5-methyl-4-[[2-[4-(2-methylpropanoyl)piperazin-1-ium-1-yl]ethylamino]methylidene]-2-(4-nitrophenyl)pyrazol-3-one

Systemtic Name: 5-methyl-4-[[2-[4-(2-methylpropanoyl)piperazin-1-ium-1-yl]ethylamino]methylidene]-2-(4-nitrophenyl)pyrazol-3-one Openeye Name: 5-methyl-4-[[2-[4-(2-methylpropanoyl)piperazin-1-ium-1-yl]ethylamino]methylene]-2-(4-nitrophenyl)pyrazol-3-one CAS Name: 5-methyl-4-[[2-[4-(2-methyl-1-oxopropyl)-1-piperazin-1-iumyl]ethylamino]methylidene]-2-(4-nitrophenyl)-3-pyrazolone IUPAC Name: 5-methyl-4-[[2-[4-(2-methylpropanoyl)piperazin-1-ium-1-yl]ethylamino]methylidene]-2-(4-nitrophenyl)pyrazol-3-one Traditional Name: 4-[[2-(4-isobutyrylpiperazin-1-ium-1-yl)ethylamino]methylene]-5-methyl-2-(4-nitrophenyl)-2-pyrazolin-3-one Formula: C21H29N6O4+ MolecularWeight: 429.49276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CNCC[NH+]2CCN(CC2)C(=O)C(C)C)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=O)C1=CNCC[NH+]2CCN(CC2)C(=O)C(C)C)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H28N6O4/c1-15(2)20(28)25-12-10-24(11-13-25)9-8-22-14-19-16(3)23-26(21(19)29)17-4-6-18(7-5-17)27(30)31/h4-7,14-15,22H,8-13H2,1-3H3/p+1