(3S)-3-azaniumyl-3-[3-(trifluoromethyl)phenyl]propanoate

Systemtic Name: (3S)-3-azaniumyl-3-[3-(trifluoromethyl)phenyl]propanoate Openeye Name: (3S)-3-azaniumyl-3-[3-(trifluoromethyl)phenyl]propanoate CAS Name: (3S)-3-ammonio-3-[3-(trifluoromethyl)phenyl]propanoate IUPAC Name: (3S)-3-azaniumyl-3-[3-(trifluoromethyl)phenyl]propanoate Traditional Name: (3S)-3-ammonio-3-[3-(trifluoromethyl)phenyl]propionate Formula: C10H10F3NO2 MolecularWeight: 233.18711

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H10F3NO2/c11-10(12,13)7-3-1-2-6(4-7)8(14)5-9(15)16/h1-4,8H,5,14H2,(H,15,16)/t8-/m0/s1