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

Systemtic Name: methyl-[(2S)-1-oxidanylidene-3-phenyl-1-prop-2-enoxy-propan-2-yl]azanium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: [(1S)-2-allyloxy-1-benzyl-2-oxo-ethyl]-methyl-ammonium; 2,2,2-trifluoroacetate CAS Name: methyl-[(2S)-1-oxo-3-phenyl-1-prop-2-enoxypropan-2-yl]ammonium; 2,2,2-trifluoroacetate IUPAC Name: methyl-[(2S)-1-oxo-3-phenyl-1-prop-2-enoxypropan-2-yl]azanium; 2,2,2-trifluoroacetate Traditional Name: [(1S)-2-allyloxy-1-benzyl-2-keto-ethyl]-methyl-ammonium; 2,2,2-trifluoroacetate Formula: C15H18F3NO4 MolecularWeight: 333.30293

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO2.C2HF3O2/c1-3-9-16-13(15)12(14-2)10-11-7-5-4-6-8-11;3-2(4,5)1(6)7/h3-8,12,14H,1,9-10H2,2H3;(H,6,7)/t12-;/m0./s1