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

Systemtic Name: methyl (2S,4S,5R)-5-(2-fluorophenyl)-1-methyl-4-(propylcarbamoyl)pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S,5R)-5-(2-fluorophenyl)-1-methyl-4-(propylcarbamoyl)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S,5R)-5-(2-fluorophenyl)-1-methyl-4-[oxo(propylamino)methyl]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S,5R)-5-(2-fluorophenyl)-1-methyl-4-(propylcarbamoyl)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S,5R)-5-(2-fluorophenyl)-1-methyl-4-(propylcarbamoyl)pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C17H24FN2O3+ MolecularWeight: 323.382463

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1CC([NH+](C1C2=CC=CC=C2F)C)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C17H23FN2O3/c1-4-9-19-16(21)12-10-14(17(22)23-3)20(2)15(12)11-7-5-6-8-13(11)18/h5-8,12,14-15H,4,9-10H2,1-3H3,(H,19,21)/p+1/t12-,14-,15-/m0/s1