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

Systemtic Name: 4-[[(4-methylpiperazin-4-ium-1-yl)amino]methylidene]-2-(4-nitrophenyl)-5-propyl-pyrazol-3-one Openeye Name: 4-[[(4-methylpiperazin-4-ium-1-yl)amino]methylene]-2-(4-nitrophenyl)-5-propyl-pyrazol-3-one CAS Name: 4-[[(4-methyl-1-piperazin-4-iumyl)amino]methylidene]-2-(4-nitrophenyl)-5-propyl-3-pyrazolone IUPAC Name: 4-[[(4-methylpiperazin-4-ium-1-yl)amino]methylidene]-2-(4-nitrophenyl)-5-propylpyrazol-3-one Traditional Name: 4-[[(4-methylpiperazin-4-ium-1-yl)amino]methylene]-2-(4-nitrophenyl)-5-propyl-2-pyrazolin-3-one Formula: C18H25N6O3+ MolecularWeight: 373.4295

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=CNN2CC[NH+](CC2)C)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCC1=NN(C(=O)C1=CNN2CC[NH+](CC2)C)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/h5-8,13,19H,3-4,9-12H2,1-2H3/p+1