(2S,4R)-4-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-1-ium-2-carboxylate

Systemtic Name: (2S,4R)-4-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-1-ium-2-carboxylate Openeye Name: (2S,4R)-4-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4R)-4-[[2-(trifluoromethyl)phenyl]methyl]-2-pyrrolidin-1-iumcarboxylate IUPAC Name: (2S,4R)-4-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4R)-4-[2-(trifluoromethyl)benzyl]pyrrolidin-1-ium-2-carboxylate Formula: C13H14F3NO2 MolecularWeight: 273.25097

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C[NH2+]C1C(=O)[O-])CC2=CC=CC=C2C(F)(F)F

Isomeric SMILES

C1[C@H](C[NH2+][C@@H]1C(=O)[O-])CC2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C13H14F3NO2/c14-13(15,16)10-4-2-1-3-9(10)5-8-6-11(12(18)19)17-7-8/h1-4,8,11,17H,5-7H2,(H,18,19)/t8-,11+/m1/s1