3-(2-sulfanylethanoyloxy)-4-(trimethylazaniumyl)butanoate

Systemtic Name: 3-(2-sulfanylethanoyloxy)-4-(trimethylazaniumyl)butanoate Openeye Name: 3-(2-sulfanylacetyl)oxy-4-(trimethylammonio)butanoate CAS Name: 3-(2-mercapto-1-oxoethoxy)-4-(trimethylammonio)butanoate IUPAC Name: 3-(2-sulfanylacetyl)oxy-4-(trimethylazaniumyl)butanoate Traditional Name: 3-(2-mercaptoacetyl)oxy-4-(trimethylammonio)butyrate Formula: C9H17NO4S MolecularWeight: 235.30058

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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)