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

Systemtic Name: ethyl-[(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]-ethyl-ammonium; 2,2,2-trifluoroacetate CAS Name: ethyl-[(2S)-1-hydroxy-1-oxo-3-phenylpropan-2-yl]ammonium; 2,2,2-trifluoroacetate IUPAC Name: ethyl-[(2S)-1-hydroxy-1-oxo-3-phenylpropan-2-yl]azanium; 2,2,2-trifluoroacetate Traditional Name: [(1S)-1-benzyl-2-hydroxy-2-keto-ethyl]-ethyl-ammonium; 2,2,2-trifluoroacetate Formula: C13H16F3NO4 MolecularWeight: 307.26565

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15NO2.C2HF3O2/c1-2-12-10(11(13)14)8-9-6-4-3-5-7-9;3-2(4,5)1(6)7/h3-7,10,12H,2,8H2,1H3,(H,13,14);(H,6,7)/t10-;/m0./s1