(2S)-2-[[3-(trifluoromethyl)phenyl]azaniumyl]butanoate

Systemtic Name: (2S)-2-[[3-(trifluoromethyl)phenyl]azaniumyl]butanoate Openeye Name: (2S)-2-[[3-(trifluoromethyl)phenyl]ammonio]butanoate CAS Name: (2S)-2-[[3-(trifluoromethyl)phenyl]ammonio]butanoate IUPAC Name: (2S)-2-[[3-(trifluoromethyl)phenyl]azaniumyl]butanoate Traditional Name: (2S)-2-[[3-(trifluoromethyl)phenyl]ammonio]butyrate Formula: C11H12F3NO2 MolecularWeight: 247.21369

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12F3NO2/c1-2-9(10(16)17)15-8-5-3-4-7(6-8)11(12,13)14/h3-6,9,15H,2H2,1H3,(H,16,17)/t9-/m0/s1