trimethyl-[(2R)-4-oxidanyl-4-oxidanylidene-2-propanoyloxy-butyl]azanium sulfate

Systemtic Name: trimethyl-[(2R)-4-oxidanyl-4-oxidanylidene-2-propanoyloxy-butyl]azanium sulfate Openeye Name: [(2R)-4-hydroxy-4-oxo-2-propanoyloxy-butyl]-trimethyl-ammonium sulfate CAS Name: [(2R)-4-hydroxy-4-oxo-2-(1-oxopropoxy)butyl]-trimethylammonium sulfate IUPAC Name: [(2R)-4-hydroxy-4-oxo-2-propanoyloxybutyl]-trimethylazanium sulfate Traditional Name: [(2R)-4-hydroxy-4-keto-2-propionyloxy-butyl]-trimethyl-ammonium sulfate Formula: C20H40N2O12S MolecularWeight: 532.6028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C.CCC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C10H19NO4.H2O4S/c2*1-5-10(14)15-8(6-9(12)13)7-11(2,3)4;1-5(2,3)4/h2*8H,5-7H2,1-4H3;(H2,1,2,3,4)/t2*8-;/m11./s1