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

Systemtic Name: methyl (2S,4S,5R)-5-(2-fluorophenyl)-1-methyl-4-(pyridin-3-ylmethylcarbamoyl)pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S,5R)-5-(2-fluorophenyl)-1-methyl-4-(3-pyridylmethylcarbamoyl)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S,5R)-5-(2-fluorophenyl)-1-methyl-4-[oxo-(3-pyridinylmethylamino)methyl]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S,5R)-5-(2-fluorophenyl)-1-methyl-4-(pyridin-3-ylmethylcarbamoyl)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S,5R)-5-(2-fluorophenyl)-1-methyl-4-(3-pyridylmethylcarbamoyl)pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C20H23FN3O3+ MolecularWeight: 372.413323

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1C(CC(C1C2=CC=CC=C2F)C(=O)NCC3=CN=CC=C3)C(=O)OC

Isomeric SMILES

C[NH+]1[C@@H](C[C@@H]([C@@H]1C2=CC=CC=C2F)C(=O)NCC3=CN=CC=C3)C(=O)OC

InChI

InChI=1S/C20H22FN3O3/c1-24-17(20(26)27-2)10-15(18(24)14-7-3-4-8-16(14)21)19(25)23-12-13-6-5-9-22-11-13/h3-9,11,15,17-18H,10,12H2,1-2H3,(H,23,25)/p+1/t15-,17-,18-/m0/s1