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

Systemtic Name: methyl (2S,4S)-4-[3,4-bis(fluoranyl)phenoxy]pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S)-4-(3,4-difluorophenoxy)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S)-4-(3,4-difluorophenoxy)-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-4-(3,4-difluorophenoxy)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S)-4-(3,4-difluorophenoxy)pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C12H14F2NO3+ MolecularWeight: 258.241266

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(C[NH2+]1)OC2=CC(=C(C=C2)F)F

Isomeric SMILES

COC(=O)[C@@H]1C[C@@H](C[NH2+]1)OC2=CC(=C(C=C2)F)F

InChI

InChI=1S/C12H13F2NO3/c1-17-12(16)11-5-8(6-15-11)18-7-2-3-9(13)10(14)4-7/h2-4,8,11,15H,5-6H2,1H3/p+1/t8-,11-/m0/s1