4-[(Z)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]-2-(4-nitrophenyl)-5-propyl-pyrazol-3-olate

Systemtic Name: 4-[(Z)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]-2-(4-nitrophenyl)-5-propyl-pyrazol-3-olate Openeye Name: 4-[(Z)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]-2-(4-nitrophenyl)-5-propyl-pyrazol-3-olate CAS Name: 4-[(Z)-(4-methyl-1-piperazin-4-iumyl)iminomethyl]-2-(4-nitrophenyl)-5-propyl-3-pyrazololate IUPAC Name: 4-[(Z)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]-2-(4-nitrophenyl)-5-propylpyrazol-3-olate Traditional Name: 4-[(Z)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]-2-(4-nitrophenyl)-5-propyl-pyrazol-3-olate Formula: C18H24N6O3 MolecularWeight: 372.42156

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1C=NN2CC[NH+](CC2)C)[O-])C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCC1=NN(C(=C1/C=N\N2CC[NH+](CC2)C)[O-])C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H24N6O3/c1-3-4-17-16(13-19-22-11-9-21(2)10-12-22)18(25)23(20-17)14-5-7-15(8-6-14)24(26)27/h5-8,13,25H,3-4,9-12H2,1-2H3/b19-13-