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

Systemtic Name: methyl (2S,4S,5R)-5-(2-fluorophenyl)-1-methyl-4-(2-pyridin-2-ylethylcarbamoyl)pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S,5R)-5-(2-fluorophenyl)-1-methyl-4-[2-(2-pyridyl)ethylcarbamoyl]pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S,5R)-5-(2-fluorophenyl)-1-methyl-4-[oxo-[2-(2-pyridinyl)ethylamino]methyl]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S,5R)-5-(2-fluorophenyl)-1-methyl-4-(2-pyridin-2-ylethylcarbamoyl)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S,5R)-5-(2-fluorophenyl)-1-methyl-4-[2-(2-pyridyl)ethylcarbamoyl]pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C21H25FN3O3+ MolecularWeight: 386.439903

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1C(CC(C1C2=CC=CC=C2F)C(=O)NCCC3=CC=CC=N3)C(=O)OC

Isomeric SMILES

C[NH+]1[C@@H](C[C@@H]([C@@H]1C2=CC=CC=C2F)C(=O)NCCC3=CC=CC=N3)C(=O)OC

InChI

InChI=1S/C21H24FN3O3/c1-25-18(21(27)28-2)13-16(19(25)15-8-3-4-9-17(15)22)20(26)24-12-10-14-7-5-6-11-23-14/h3-9,11,16,18-19H,10,12-13H2,1-2H3,(H,24,26)/p+1/t16-,18-,19-/m0/s1