6-methyl-N-(4-methylpiperazin-4-ium-1-yl)-1-(2-nitrophenyl)-4-oxidanylidene-pyridazine-3-carboxamide

Systemtic Name: 6-methyl-N-(4-methylpiperazin-4-ium-1-yl)-1-(2-nitrophenyl)-4-oxidanylidene-pyridazine-3-carboxamide Openeye Name: 6-methyl-N-(4-methylpiperazin-4-ium-1-yl)-1-(2-nitrophenyl)-4-oxo-pyridazine-3-carboxamide CAS Name: 6-methyl-N-(4-methyl-1-piperazin-4-iumyl)-1-(2-nitrophenyl)-4-oxo-3-pyridazinecarboxamide IUPAC Name: 6-methyl-N-(4-methylpiperazin-4-ium-1-yl)-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide Traditional Name: 4-keto-6-methyl-N-(4-methylpiperazin-4-ium-1-yl)-1-(2-nitrophenyl)pyridazine-3-carboxamide Formula: C17H21N6O4+ MolecularWeight: 373.38644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=CC=C2[N+](=O)[O-])C(=O)NN3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=CC=C2[N+](=O)[O-])C(=O)NN3CC[NH+](CC3)C

InChI

InChI=1S/C17H20N6O4/c1-12-11-15(24)16(17(25)19-21-9-7-20(2)8-10-21)18-22(12)13-5-3-4-6-14(13)23(26)27/h3-6,11H,7-10H2,1-2H3,(H,19,25)/p+1