[(2S)-1-[[2-azanyl-4-(trifluoromethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl]-dimethyl-azanium

Systemtic Name: [(2S)-1-[[2-azanyl-4-(trifluoromethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl]-dimethyl-azanium Openeye Name: [(1S)-2-[2-amino-4-(trifluoromethyl)anilino]-1-methyl-2-oxo-ethyl]-dimethyl-ammonium CAS Name: [(2S)-1-[2-amino-4-(trifluoromethyl)anilino]-1-oxopropan-2-yl]-dimethylammonium IUPAC Name: [(2S)-1-[2-amino-4-(trifluoromethyl)anilino]-1-oxopropan-2-yl]-dimethylazanium Traditional Name: [(1S)-2-[2-amino-4-(trifluoromethyl)anilino]-2-keto-1-methyl-ethyl]-dimethyl-ammonium Formula: C12H17F3N3O+ MolecularWeight: 276.27809

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)C(F)(F)F)N)[NH+](C)C

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=C(C=C1)C(F)(F)F)N)[NH+](C)C

InChI

InChI=1S/C12H16F3N3O/c1-7(18(2)3)11(19)17-10-5-4-8(6-9(10)16)12(13,14)15/h4-7H,16H2,1-3H3,(H,17,19)/p+1/t7-/m0/s1