[(3S)-1-ethoxy-2,2-bis(fluoranyl)-1-oxidanylidene-5-phenyl-pentan-3-yl]azanium

Systemtic Name: [(3S)-1-ethoxy-2,2-bis(fluoranyl)-1-oxidanylidene-5-phenyl-pentan-3-yl]azanium Openeye Name: [(1S)-3-ethoxy-2,2-difluoro-3-oxo-1-phenethyl-propyl]ammonium CAS Name: [(3S)-1-ethoxy-2,2-difluoro-1-oxo-5-phenylpentan-3-yl]ammonium IUPAC Name: [(3S)-1-ethoxy-2,2-difluoro-1-oxo-5-phenylpentan-3-yl]azanium Traditional Name: [(1S)-3-ethoxy-2,2-difluoro-3-keto-1-phenethyl-propyl]ammonium Formula: C13H18F2NO2+ MolecularWeight: 258.284326

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(CCC1=CC=CC=C1)[NH3+])(F)F

Isomeric SMILES

CCOC(=O)C([C@H](CCC1=CC=CC=C1)[NH3+])(F)F

InChI

InChI=1S/C13H17F2NO2/c1-2-18-12(17)13(14,15)11(16)9-8-10-6-4-3-5-7-10/h3-7,11H,2,8-9,16H2,1H3/p+1/t11-/m0/s1