methyl (1R,2S,4R)-2-(dimethylcarbamoyl)-1-methyl-4-sulfanyl-pyrrolidin-1-ium-1-carboxylate

Systemtic Name: methyl (1R,2S,4R)-2-(dimethylcarbamoyl)-1-methyl-4-sulfanyl-pyrrolidin-1-ium-1-carboxylate Openeye Name: methyl (1R,2S,4R)-2-(dimethylcarbamoyl)-1-methyl-4-sulfanyl-pyrrolidin-1-ium-1-carboxylate CAS Name: (1R,2S,4R)-2-[dimethylamino(oxo)methyl]-4-mercapto-1-methyl-1-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (1R,2S,4R)-2-(dimethylcarbamoyl)-1-methyl-4-sulfanylpyrrolidin-1-ium-1-carboxylate Traditional Name: (1R,2S,4R)-2-(dimethylcarbamoyl)-4-mercapto-1-methyl-pyrrolidin-1-ium-1-carboxylic acid methyl ester Formula: C10H19N2O3S+ MolecularWeight: 247.33446

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1CC(C[N+]1(C)C(=O)OC)S

Isomeric SMILES

CN(C)C(=O)[C@@H]1C[C@H](C[N@@+]1(C)C(=O)OC)S

InChI

InChI=1S/C10H18N2O3S/c1-11(2)9(13)8-5-7(16)6-12(8,3)10(14)15-4/h7-8H,5-6H2,1-4H3/p+1/t7-,8+,12-/m1/s1