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

Systemtic Name: 3-(2-sulfanylpropanoyloxy)-4-(trimethylazaniumyl)butanoate Openeye Name: 3-(2-sulfanylpropanoyloxy)-4-(trimethylammonio)butanoate CAS Name: 3-(2-mercapto-1-oxopropoxy)-4-(trimethylammonio)butanoate IUPAC Name: 3-(2-sulfanylpropanoyloxy)-4-(trimethylazaniumyl)butanoate Traditional Name: 3-(2-mercaptopropanoyloxy)-4-(trimethylammonio)butyrate Formula: C10H19NO4S MolecularWeight: 249.32716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H19NO4S/c1-7(16)10(14)15-8(5-9(12)13)6-11(2,3)4/h7-8H,5-6H2,1-4H3,(H-,12,13,16)