(4R)-5-methyl-2-(4-nitrophenyl)-4-(2-piperazine-1,4-diium-1-ylethyliminomethyl)-4H-pyrazol-3-one

Systemtic Name: (4R)-5-methyl-2-(4-nitrophenyl)-4-(2-piperazine-1,4-diium-1-ylethyliminomethyl)-4H-pyrazol-3-one Openeye Name: (4R)-5-methyl-2-(4-nitrophenyl)-4-(2-piperazine-1,4-diium-1-ylethyliminomethyl)-4H-pyrazol-3-one CAS Name: (4R)-5-methyl-2-(4-nitrophenyl)-4-[2-(1-piperazine-1,4-diiumyl)ethyliminomethyl]-4H-pyrazol-3-one IUPAC Name: (4R)-5-methyl-2-(4-nitrophenyl)-4-(2-piperazine-1,4-diium-1-ylethyliminomethyl)-4H-pyrazol-3-one Traditional Name: (4R)-5-methyl-2-(4-nitrophenyl)-4-(2-piperazine-1,4-diium-1-ylethyliminomethyl)-2-pyrazolin-3-one Formula: C17H24N6O3+2 MolecularWeight: 360.41086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1C=NCC[NH+]2CC[NH2+]CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=O)[C@@H]1C=NCC[NH+]2CC[NH2+]CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H22N6O3/c1-13-16(12-19-8-11-21-9-6-18-7-10-21)17(24)22(20-13)14-2-4-15(5-3-14)23(25)26/h2-5,12,16,18H,6-11H2,1H3/p+2/t16-/m1/s1