methyl-[(2S)-1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl]azanium; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: methyl-[(2S)-1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl]azanium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: [(1S)-1-benzyl-2-hydroxy-2-oxo-ethyl]-methyl-ammonium; 2,2,2-trifluoroacetate CAS Name: [(2S)-1-hydroxy-1-oxo-3-phenylpropan-2-yl]-methylammonium; 2,2,2-trifluoroacetate IUPAC Name: [(2S)-1-hydroxy-1-oxo-3-phenylpropan-2-yl]-methylazanium; 2,2,2-trifluoroacetate Traditional Name: [(1S)-1-benzyl-2-hydroxy-2-keto-ethyl]-methyl-ammonium; 2,2,2-trifluoroacetate Formula: C12H14F3NO4 MolecularWeight: 293.23907

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]C(CC1=CC=CC=C1)C(=O)O.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

C[NH2+][C@@H](CC1=CC=CC=C1)C(=O)O.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C10H13NO2.C2HF3O2/c1-11-9(10(12)13)7-8-5-3-2-4-6-8;3-2(4,5)1(6)7/h2-6,9,11H,7H2,1H3,(H,12,13);(H,6,7)/t9-;/m0./s1