methyl (2S,4S,5R)-5-(3-chlorophenyl)-1-methyl-4-(propan-2-ylcarbamoyl)pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4S,5R)-5-(3-chlorophenyl)-1-methyl-4-(propan-2-ylcarbamoyl)pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S,5R)-5-(3-chlorophenyl)-4-(isopropylcarbamoyl)-1-methyl-pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S,5R)-5-(3-chlorophenyl)-1-methyl-4-[oxo-(propan-2-ylamino)methyl]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S,5R)-5-(3-chlorophenyl)-1-methyl-4-(propan-2-ylcarbamoyl)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S,5R)-5-(3-chlorophenyl)-4-(isopropylcarbamoyl)-1-methyl-pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C17H24ClN2O3+ MolecularWeight: 339.83706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1CC([NH+](C1C2=CC(=CC=C2)Cl)C)C(=O)OC

Isomeric SMILES

CC(C)NC(=O)[C@H]1C[C@H]([NH+]([C@H]1C2=CC(=CC=C2)Cl)C)C(=O)OC

InChI

InChI=1S/C17H23ClN2O3/c1-10(2)19-16(21)13-9-14(17(22)23-4)20(3)15(13)11-6-5-7-12(18)8-11/h5-8,10,13-15H,9H2,1-4H3,(H,19,21)/p+1/t13-,14-,15-/m0/s1