trimethyl-[4-oxidanyl-4-oxidanylidene-2-(3-oxidanylidenebutanoylsulfanyl)butyl]azanium

Systemtic Name: trimethyl-[4-oxidanyl-4-oxidanylidene-2-(3-oxidanylidenebutanoylsulfanyl)butyl]azanium Openeye Name: [4-hydroxy-4-oxo-2-(3-oxobutanoylsulfanyl)butyl]-trimethyl-ammonium CAS Name: [2-(1,3-dioxobutylthio)-4-hydroxy-4-oxobutyl]-trimethylammonium IUPAC Name: [4-hydroxy-4-oxo-2-(3-oxobutanoylsulfanyl)butyl]-trimethylazanium Traditional Name: [2-(acetoacetylthio)-4-hydroxy-4-keto-butyl]-trimethyl-ammonium Formula: C11H20NO4S+ MolecularWeight: 262.3458

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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/p+1