3-(3-oxidanylidenebutanoylsulfanyl)-4-(trimethylazaniumyl)butanoate

Systemtic Name: 3-(3-oxidanylidenebutanoylsulfanyl)-4-(trimethylazaniumyl)butanoate Openeye Name: 3-(3-oxobutanoylsulfanyl)-4-(trimethylammonio)butanoate CAS Name: 3-(1,3-dioxobutylthio)-4-(trimethylammonio)butanoate IUPAC Name: 3-(3-oxobutanoylsulfanyl)-4-(trimethylazaniumyl)butanoate Traditional Name: 3-(acetoacetylthio)-4-(trimethylammonio)butyrate Formula: C11H19NO4S MolecularWeight: 261.33786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)SC(CC(=O)[O-])C[N+](C)(C)C

Isomeric SMILES

CC(=O)CC(=O)SC(CC(=O)[O-])C[N+](C)(C)C

InChI

InChI=1S/C11H19NO4S/c1-8(13)5-11(16)17-9(6-10(14)15)7-12(2,3)4/h9H,5-7H2,1-4H3