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

Systemtic Name: methyl (2S,4S,5R)-5-(3-chlorophenyl)-1-methyl-4-(pentan-3-ylcarbamoyl)pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S,5R)-5-(3-chlorophenyl)-4-(1-ethylpropylcarbamoyl)-1-methyl-pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S,5R)-5-(3-chlorophenyl)-1-methyl-4-[oxo-(pentan-3-ylamino)methyl]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S,5R)-5-(3-chlorophenyl)-1-methyl-4-(pentan-3-ylcarbamoyl)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S,5R)-5-(3-chlorophenyl)-4-(1-ethylpropylcarbamoyl)-1-methyl-pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C19H28ClN2O3+ MolecularWeight: 367.89022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27ClN2O3/c1-5-14(6-2)21-18(23)15-11-16(19(24)25-4)22(3)17(15)12-8-7-9-13(20)10-12/h7-10,14-17H,5-6,11H2,1-4H3,(H,21,23)/p+1/t15-,16-,17-/m0/s1