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

Systemtic Name: 2-azanylethanesulfonate; trimethyl-[(2R)-4-oxidanyl-4-oxidanylidene-2-propanoyloxy-butyl]azanium Openeye Name: 2-aminoethanesulfonate; [(2R)-4-hydroxy-4-oxo-2-propanoyloxy-butyl]-trimethyl-ammonium CAS Name: 2-aminoethanesulfonate; [(2R)-4-hydroxy-4-oxo-2-(1-oxopropoxy)butyl]-trimethylammonium IUPAC Name: 2-aminoethanesulfonate; [(2R)-4-hydroxy-4-oxo-2-propanoyloxybutyl]-trimethylazanium Traditional Name: 2-aminoethanesulfonate; [(2R)-4-hydroxy-4-keto-2-propionyloxy-butyl]-trimethyl-ammonium Formula: C12H26N2O7S MolecularWeight: 342.40904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H19NO4.C2H7NO3S/c1-5-10(14)15-8(6-9(12)13)7-11(2,3)4;3-1-2-7(4,5)6/h8H,5-7H2,1-4H3;1-3H2,(H,4,5,6)/t8-;/m1./s1