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

Systemtic Name: (2S,3S,5S)-2-(3-fluorophenyl)-5-methoxycarbonyl-1,5-dimethyl-pyrrolidin-1-ium-3-carboxylate Openeye Name: (2S,3S,5S)-2-(3-fluorophenyl)-5-methoxycarbonyl-1,5-dimethyl-pyrrolidin-1-ium-3-carboxylate CAS Name: (2S,3S,5S)-2-(3-fluorophenyl)-5-methoxycarbonyl-1,5-dimethyl-3-pyrrolidin-1-iumcarboxylate IUPAC Name: (2S,3S,5S)-2-(3-fluorophenyl)-5-methoxycarbonyl-1,5-dimethylpyrrolidin-1-ium-3-carboxylate Traditional Name: (2S,3S,5S)-5-carbomethoxy-2-(3-fluorophenyl)-1,5-dimethyl-pyrrolidin-1-ium-3-carboxylate Formula: C15H18FNO4 MolecularWeight: 295.306123

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C([NH+]1C)C2=CC(=CC=C2)F)C(=O)[O-])C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C15H18FNO4/c1-15(14(20)21-3)8-11(13(18)19)12(17(15)2)9-5-4-6-10(16)7-9/h4-7,11-12H,8H2,1-3H3,(H,18,19)/t11-,12+,15-/m0/s1