trimethyl-[4-oxidanyl-4-oxidanylidene-2-(2-sulfanylethanoyloxy)butyl]azanium

Systemtic Name: trimethyl-[4-oxidanyl-4-oxidanylidene-2-(2-sulfanylethanoyloxy)butyl]azanium Openeye Name: [4-hydroxy-4-oxo-2-(2-sulfanylacetyl)oxy-butyl]-trimethyl-ammonium CAS Name: [4-hydroxy-2-(2-mercapto-1-oxoethoxy)-4-oxobutyl]-trimethylammonium IUPAC Name: [4-hydroxy-4-oxo-2-(2-sulfanylacetyl)oxybutyl]-trimethylazanium Traditional Name: [4-hydroxy-4-keto-2-(2-mercaptoacetyl)oxy-butyl]-trimethyl-ammonium Formula: C9H18NO4S+ MolecularWeight: 236.30852

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(CC(=O)O)OC(=O)CS

Isomeric SMILES

C[N+](C)(C)CC(CC(=O)O)OC(=O)CS

InChI

InChI=1S/C9H17NO4S/c1-10(2,3)5-7(4-8(11)12)14-9(13)6-15/h7H,4-6H2,1-3H3,(H-,11,12,15)/p+1