[(2S)-2-acetyloxy-4-oxidanyl-4-oxidanylidene-butyl]-trimethyl-azanium; (2R)-2-azanyl-3-sulfanyl-propanoic acid; hydrochloride

Systemtic Name: [(2S)-2-acetyloxy-4-oxidanyl-4-oxidanylidene-butyl]-trimethyl-azanium; (2R)-2-azanyl-3-sulfanyl-propanoic acid; hydrochloride Openeye Name: [(2S)-2-acetoxy-4-hydroxy-4-oxo-butyl]-trimethyl-ammonium; (2R)-2-amino-3-sulfanyl-propanoic acid; hydrochloride CAS Name: [(2S)-2-acetyloxy-4-hydroxy-4-oxobutyl]-trimethylammonium; (2R)-2-amino-3-mercaptopropanoic acid; hydrochloride IUPAC Name: [(2S)-2-acetyloxy-4-hydroxy-4-oxobutyl]-trimethylazanium; (2R)-2-amino-3-sulfanylpropanoic acid; hydrochloride Traditional Name: [(2S)-2-acetoxy-4-hydroxy-4-keto-butyl]-trimethyl-ammonium; (2R)-2-amino-3-mercapto-propionic acid; hydrochloride Formula: C12H26ClN2O6S+ MolecularWeight: 361.86264

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CC(=O)O)C[N+](C)(C)C.C(C(C(=O)O)N)S.Cl

Isomeric SMILES

CC(=O)O[C@@H](CC(=O)O)C[N+](C)(C)C.C([C@@H](C(=O)O)N)S.Cl

InChI

InChI=1S/C9H17NO4.C3H7NO2S.ClH/c1-7(11)14-8(5-9(12)13)6-10(2,3)4;4-2(1-7)3(5)6;/h8H,5-6H2,1-4H3;2,7H,1,4H2,(H,5,6);1H/p+1/t8-;2-;/m00./s1