(3S)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-1-ium-3-carboxylate

Systemtic Name: (3S)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-1-ium-3-carboxylate Openeye Name: (3S)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-1-ium-3-carboxylate CAS Name: (3S)-1-[[4-(trifluoromethyl)phenyl]methyl]-3-pyrrolidin-1-iumcarboxylate IUPAC Name: (3S)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[4-(trifluoromethyl)benzyl]pyrrolidin-1-ium-3-carboxylate Formula: C13H14F3NO2 MolecularWeight: 273.25097

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1C(=O)[O-])CC2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

C1C[NH+](C[C@H]1C(=O)[O-])CC2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C13H14F3NO2/c14-13(15,16)11-3-1-9(2-4-11)7-17-6-5-10(8-17)12(18)19/h1-4,10H,5-8H2,(H,18,19)/t10-/m0/s1