(2S,3S,5R)-2-(3-fluorophenyl)-5-methoxycarbonyl-1-methyl-pyrrolidin-1-ium-3-carboxylate

Systemtic Name: (2S,3S,5R)-2-(3-fluorophenyl)-5-methoxycarbonyl-1-methyl-pyrrolidin-1-ium-3-carboxylate Openeye Name: (2S,3S,5R)-2-(3-fluorophenyl)-5-methoxycarbonyl-1-methyl-pyrrolidin-1-ium-3-carboxylate CAS Name: (2S,3S,5R)-2-(3-fluorophenyl)-5-methoxycarbonyl-1-methyl-3-pyrrolidin-1-iumcarboxylate IUPAC Name: (2S,3S,5R)-2-(3-fluorophenyl)-5-methoxycarbonyl-1-methylpyrrolidin-1-ium-3-carboxylate Traditional Name: (2S,3S,5R)-5-carbomethoxy-2-(3-fluorophenyl)-1-methyl-pyrrolidin-1-ium-3-carboxylate Formula: C14H16FNO4 MolecularWeight: 281.279543

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1C(CC(C1C2=CC(=CC=C2)F)C(=O)[O-])C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C14H16FNO4/c1-16-11(14(19)20-2)7-10(13(17)18)12(16)8-4-3-5-9(15)6-8/h3-6,10-12H,7H2,1-2H3,(H,17,18)/t10-,11+,12+/m0/s1