[(2S)-4-oxidanyl-4-oxidanylidene-1-(trimethylazaniumyl)butan-2-yl] sulfate

Systemtic Name: [(2S)-4-oxidanyl-4-oxidanylidene-1-(trimethylazaniumyl)butan-2-yl] sulfate Openeye Name: [(1S)-3-hydroxy-3-oxo-1-[(trimethylammonio)methyl]propyl] sulfate CAS Name: [(2S)-4-hydroxy-4-oxo-1-(trimethylammonio)butan-2-yl] sulfate IUPAC Name: [(2S)-4-hydroxy-4-oxo-1-(trimethylazaniumyl)butan-2-yl] sulfate Traditional Name: [(1S)-3-hydroxy-3-keto-1-[(trimethylammonio)methyl]propyl] sulfate Formula: C7H15NO6S MolecularWeight: 241.2621

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[N+](C)(C)C[C@H](CC(=O)O)OS(=O)(=O)[O-]

InChI

InChI=1S/C7H15NO6S/c1-8(2,3)5-6(4-7(9)10)14-15(11,12)13/h6H,4-5H2,1-3H3,(H-,9,10,11,12,13)/t6-/m0/s1