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

Systemtic Name: dimethyl-[(1S)-2-[[6-methyl-1-(2-nitrophenyl)-4-oxidanylidene-pyridazin-3-yl]carbonylamino]-1-phenyl-ethyl]azanium Openeye Name: dimethyl-[(1S)-2-[[6-methyl-1-(2-nitrophenyl)-4-oxo-pyridazine-3-carbonyl]amino]-1-phenyl-ethyl]ammonium CAS Name: dimethyl-[(1S)-2-[[[6-methyl-1-(2-nitrophenyl)-4-oxo-3-pyridazinyl]-oxomethyl]amino]-1-phenylethyl]ammonium IUPAC Name: dimethyl-[(1S)-2-[[6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carbonyl]amino]-1-phenylethyl]azanium Traditional Name: [(1S)-2-[[4-keto-6-methyl-1-(2-nitrophenyl)pyridazine-3-carbonyl]amino]-1-phenyl-ethyl]-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)NCC(C3=CC=CC=C3)[NH+](C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5O4/c1-15-13-20(28)21(24-26(15)17-11-7-8-12-18(17)27(30)31)22(29)23-14-19(25(2)3)16-9-5-4-6-10-16/h4-13,19H,14H2,1-3H3,(H,23,29)/p+1/t19-/m1/s1