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

Systemtic Name: (2R,3S,5S)-2-(2-chlorophenyl)-5-methoxycarbonyl-1,5-dimethyl-pyrrolidin-1-ium-3-carboxylate Openeye Name: (2R,3S,5S)-2-(2-chlorophenyl)-5-methoxycarbonyl-1,5-dimethyl-pyrrolidin-1-ium-3-carboxylate CAS Name: (2R,3S,5S)-2-(2-chlorophenyl)-5-methoxycarbonyl-1,5-dimethyl-3-pyrrolidin-1-iumcarboxylate IUPAC Name: (2R,3S,5S)-2-(2-chlorophenyl)-5-methoxycarbonyl-1,5-dimethylpyrrolidin-1-ium-3-carboxylate Traditional Name: (2R,3S,5S)-5-carbomethoxy-2-(2-chlorophenyl)-1,5-dimethyl-pyrrolidin-1-ium-3-carboxylate Formula: C15H18ClNO4 MolecularWeight: 311.76072

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C([NH+]1C)C2=CC=CC=C2Cl)C(=O)[O-])C(=O)OC

Isomeric SMILES

C[C@]1(C[C@@H]([C@@H]([NH+]1C)C2=CC=CC=C2Cl)C(=O)[O-])C(=O)OC

InChI

InChI=1S/C15H18ClNO4/c1-15(14(20)21-3)8-10(13(18)19)12(17(15)2)9-6-4-5-7-11(9)16/h4-7,10,12H,8H2,1-3H3,(H,18,19)/t10-,12-,15-/m0/s1