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

Systemtic Name: methyl (2S,4S,5R)-5-(2-fluorophenyl)-1-methyl-4-(phenethylcarbamoyl)pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S,5R)-5-(2-fluorophenyl)-1-methyl-4-(phenethylcarbamoyl)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S,5R)-5-(2-fluorophenyl)-1-methyl-4-[oxo-(phenethylamino)methyl]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S,5R)-5-(2-fluorophenyl)-1-methyl-4-(phenethylcarbamoyl)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S,5R)-5-(2-fluorophenyl)-1-methyl-4-(phenethylcarbamoyl)pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C22H26FN2O3+ MolecularWeight: 385.451843

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1C(CC(C1C2=CC=CC=C2F)C(=O)NCCC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

C[NH+]1[C@@H](C[C@@H]([C@@H]1C2=CC=CC=C2F)C(=O)NCCC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C22H25FN2O3/c1-25-19(22(27)28-2)14-17(20(25)16-10-6-7-11-18(16)23)21(26)24-13-12-15-8-4-3-5-9-15/h3-11,17,19-20H,12-14H2,1-2H3,(H,24,26)/p+1/t17-,19-,20-/m0/s1