methyl (2S)-1-[[3,4-bis(fluoranyl)phenyl]methyl]pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S)-1-[[3,4-bis(fluoranyl)phenyl]methyl]pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-1-ium-2-carboxylate CAS Name: (2S)-1-[(3,4-difluorophenyl)methyl]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S)-1-(3,4-difluorobenzyl)pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C13H16F2NO2+ MolecularWeight: 256.268446

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC[NH+]1CC2=CC(=C(C=C2)F)F

Isomeric SMILES

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

InChI

InChI=1S/C13H15F2NO2/c1-18-13(17)12-3-2-6-16(12)8-9-4-5-10(14)11(15)7-9/h4-5,7,12H,2-3,6,8H2,1H3/p+1/t12-/m0/s1