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

Systemtic Name: methyl (2S,4S,5R)-5-(3-chlorophenyl)-1-methyl-4-(2-methylpropylcarbamoyl)pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S,5R)-5-(3-chlorophenyl)-4-(isobutylcarbamoyl)-1-methyl-pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S,5R)-5-(3-chlorophenyl)-1-methyl-4-[(2-methylpropylamino)-oxomethyl]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S,5R)-5-(3-chlorophenyl)-1-methyl-4-(2-methylpropylcarbamoyl)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S,5R)-5-(3-chlorophenyl)-4-(isobutylcarbamoyl)-1-methyl-pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C18H26ClN2O3+ MolecularWeight: 353.86364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25ClN2O3/c1-11(2)10-20-17(22)14-9-15(18(23)24-4)21(3)16(14)12-6-5-7-13(19)8-12/h5-8,11,14-16H,9-10H2,1-4H3,(H,20,22)/p+1/t14-,15-,16-/m0/s1