2-methylpropyl-oxidanylidene-[[2-oxidanylidene-4-(trifluoromethyl)-1H-quinolin-6-yl]amino]azanium

Systemtic Name: 2-methylpropyl-oxidanylidene-[[2-oxidanylidene-4-(trifluoromethyl)-1H-quinolin-6-yl]amino]azanium Openeye Name: isobutyl-oxo-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]amino]ammonium CAS Name: 2-methylpropyl-oxo-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]amino]ammonium IUPAC Name: 2-methylpropyl-oxo-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]amino]azanium Traditional Name: isobutyl-keto-[[2-keto-4-(trifluoromethyl)-1H-quinolin-6-yl]amino]ammonium Formula: C14H15F3N3O2+ MolecularWeight: 314.28301

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[N+](=O)NC1=CC2=C(C=C1)NC(=O)C=C2C(F)(F)F

Isomeric SMILES

CC(C)C[N+](=O)NC1=CC2=C(C=C1)NC(=O)C=C2C(F)(F)F

InChI

InChI=1S/C14H14F3N3O2/c1-8(2)7-20(22)19-9-3-4-12-10(5-9)11(14(15,16)17)6-13(21)18-12/h3-6,8H,7H2,1-2H3,(H-,18,19,21,22)/p+1