(2S)-2-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-1-ium-2-carboxylate

Systemtic Name: (2S)-2-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-1-ium-2-carboxylate Openeye Name: (2S)-2-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-1-ium-2-carboxylate CAS Name: (2S)-2-[[3-(trifluoromethyl)phenyl]methyl]-2-pyrrolidin-1-iumcarboxylate IUPAC Name: (2S)-2-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S)-2-[3-(trifluoromethyl)benzyl]pyrrolidin-1-ium-2-carboxylate Formula: C13H14F3NO2 MolecularWeight: 273.25097

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH2+]C1)(CC2=CC(=CC=C2)C(F)(F)F)C(=O)[O-]

Isomeric SMILES

C1C[C@]([NH2+]C1)(CC2=CC(=CC=C2)C(F)(F)F)C(=O)[O-]

InChI

InChI=1S/C13H14F3NO2/c14-13(15,16)10-4-1-3-9(7-10)8-12(11(18)19)5-2-6-17-12/h1,3-4,7,17H,2,5-6,8H2,(H,18,19)/t12-/m0/s1