(2S,3S,5R)-5-ethyl-2-(4-fluorophenyl)-5-methoxycarbonyl-1-methyl-pyrrolidin-1-ium-3-carboxylate

Systemtic Name: (2S,3S,5R)-5-ethyl-2-(4-fluorophenyl)-5-methoxycarbonyl-1-methyl-pyrrolidin-1-ium-3-carboxylate Openeye Name: (2S,3S,5R)-5-ethyl-2-(4-fluorophenyl)-5-methoxycarbonyl-1-methyl-pyrrolidin-1-ium-3-carboxylate CAS Name: (2S,3S,5R)-5-ethyl-2-(4-fluorophenyl)-5-methoxycarbonyl-1-methyl-3-pyrrolidin-1-iumcarboxylate IUPAC Name: (2S,3S,5R)-5-ethyl-2-(4-fluorophenyl)-5-methoxycarbonyl-1-methylpyrrolidin-1-ium-3-carboxylate Traditional Name: (2S,3S,5R)-5-carbomethoxy-5-ethyl-2-(4-fluorophenyl)-1-methyl-pyrrolidin-1-ium-3-carboxylate Formula: C16H20FNO4 MolecularWeight: 309.332703

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC(C([NH+]1C)C2=CC=C(C=C2)F)C(=O)[O-])C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C16H20FNO4/c1-4-16(15(21)22-3)9-12(14(19)20)13(18(16)2)10-5-7-11(17)8-6-10/h5-8,12-13H,4,9H2,1-3H3,(H,19,20)/t12-,13+,16+/m0/s1