3,3-dimethyloxiran-2-one; methyl 1-(dimethylcarbamoyl)-1-sulfanyl-pyrrolidin-1-ium-3-carboxylate

Systemtic Name: 3,3-dimethyloxiran-2-one; methyl 1-(dimethylcarbamoyl)-1-sulfanyl-pyrrolidin-1-ium-3-carboxylate Openeye Name: 3,3-dimethyloxiran-2-one; methyl 1-(dimethylcarbamoyl)-1-sulfanyl-pyrrolidin-1-ium-3-carboxylate CAS Name: 1-[dimethylamino(oxo)methyl]-1-mercapto-3-pyrrolidin-1-iumcarboxylic acid methyl ester; 3,3-dimethyl-2-oxiranone IUPAC Name: 3,3-dimethyloxiran-2-one; methyl 1-(dimethylcarbamoyl)-1-sulfanylpyrrolidin-1-ium-3-carboxylate Traditional Name: 1-(dimethylcarbamoyl)-1-mercapto-pyrrolidin-1-ium-3-carboxylic acid methyl ester; 3,3-dimethyloxiran-2-one Formula: C13H23N2O5S+ MolecularWeight: 319.39712

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)O1)C.CN(C)C(=O)[N+]1(CCC(C1)C(=O)OC)S

Isomeric SMILES

CC1(C(=O)O1)C.CN(C)C(=O)[N+]1(CCC(C1)C(=O)OC)S

InChI

InChI=1S/C9H17N2O3S.C4H6O2/c1-10(2)9(13)11(15)5-4-7(6-11)8(12)14-3;1-4(2)3(5)6-4/h7,15H,4-6H2,1-3H3;1-2H3/q+1;