dimethyl-[[4-[[[6-methyl-1-(2-nitrophenyl)-4-oxidanylidene-pyridazin-3-yl]carbonylamino]methyl]phenyl]methyl]azanium

Systemtic Name: dimethyl-[[4-[[[6-methyl-1-(2-nitrophenyl)-4-oxidanylidene-pyridazin-3-yl]carbonylamino]methyl]phenyl]methyl]azanium Openeye Name: dimethyl-[[4-[[[6-methyl-1-(2-nitrophenyl)-4-oxo-pyridazine-3-carbonyl]amino]methyl]phenyl]methyl]ammonium CAS Name: dimethyl-[[4-[[[[6-methyl-1-(2-nitrophenyl)-4-oxo-3-pyridazinyl]-oxomethyl]amino]methyl]phenyl]methyl]ammonium IUPAC Name: dimethyl-[[4-[[[6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carbonyl]amino]methyl]phenyl]methyl]azanium Traditional Name: [4-[[[4-keto-6-methyl-1-(2-nitrophenyl)pyridazine-3-carbonyl]amino]methyl]benzyl]-dimethyl-ammonium Formula: C22H24N5O4+ MolecularWeight: 422.45706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=CC=C2[N+](=O)[O-])C(=O)NCC3=CC=C(C=C3)C[NH+](C)C

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=CC=C2[N+](=O)[O-])C(=O)NCC3=CC=C(C=C3)C[NH+](C)C

InChI

InChI=1S/C22H23N5O4/c1-15-12-20(28)21(24-26(15)18-6-4-5-7-19(18)27(30)31)22(29)23-13-16-8-10-17(11-9-16)14-25(2)3/h4-12H,13-14H2,1-3H3,(H,23,29)/p+1