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

Systemtic Name: 3-(3-oxidanylidenebutanoylsulfanyl)-4-(trimethylazaniumyl)butanoate hydrochloride Openeye Name: 3-(3-oxobutanoylsulfanyl)-4-(trimethylammonio)butanoate hydrochloride CAS Name: 3-(1,3-dioxobutylthio)-4-(trimethylammonio)butanoate hydrochloride IUPAC Name: 3-(3-oxobutanoylsulfanyl)-4-(trimethylazaniumyl)butanoate hydrochloride Traditional Name: 3-(acetoacetylthio)-4-(trimethylammonio)butyrate hydrochloride Formula: C11H20ClNO4S MolecularWeight: 297.7988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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