[(2S)-3-methyl-1-oxidanylidene-1-[[3-(trifluoromethyl)phenyl]methylamino]butan-2-yl]azanium

Systemtic Name: [(2S)-3-methyl-1-oxidanylidene-1-[[3-(trifluoromethyl)phenyl]methylamino]butan-2-yl]azanium Openeye Name: [(1S)-2-methyl-1-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]propyl]ammonium CAS Name: [(2S)-3-methyl-1-oxo-1-[[3-(trifluoromethyl)phenyl]methylamino]butan-2-yl]ammonium IUPAC Name: [(2S)-3-methyl-1-oxo-1-[[3-(trifluoromethyl)phenyl]methylamino]butan-2-yl]azanium Traditional Name: [(1S)-2-methyl-1-[[3-(trifluoromethyl)benzyl]carbamoyl]propyl]ammonium Formula: C13H18F3N2O+ MolecularWeight: 275.29003

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=CC(=CC=C1)C(F)(F)F)[NH3+]

Isomeric SMILES

CC(C)[C@@H](C(=O)NCC1=CC(=CC=C1)C(F)(F)F)[NH3+]

InChI

InChI=1S/C13H17F3N2O/c1-8(2)11(17)12(19)18-7-9-4-3-5-10(6-9)13(14,15)16/h3-6,8,11H,7,17H2,1-2H3,(H,18,19)/p+1/t11-/m0/s1