magnesium; 2-azanylethanesulfonate; 3-oxidanyl-4-(trimethylazaniumyl)butanoate

Systemtic Name: magnesium; 2-azanylethanesulfonate; 3-oxidanyl-4-(trimethylazaniumyl)butanoate Openeye Name: magnesium; 2-aminoethanesulfonate; 3-hydroxy-4-(trimethylammonio)butanoate CAS Name: magnesium; 2-aminoethanesulfonate; 3-hydroxy-4-(trimethylammonio)butanoate IUPAC Name: magnesium; 2-aminoethanesulfonate; 3-hydroxy-4-(trimethylazaniumyl)butanoate Traditional Name: magnesium; 2-aminoethanesulfonate; 3-hydroxy-4-(trimethylammonio)butyrate Formula: C11H27MgN3O9S2 MolecularWeight: 433.78178

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(CC(=O)[O-])O.C(CS(=O)(=O)[O-])N.C(CS(=O)(=O)[O-])N.[Mg+2]

Isomeric SMILES

C[N+](C)(C)CC(CC(=O)[O-])O.C(CS(=O)(=O)[O-])N.C(CS(=O)(=O)[O-])N.[Mg+2]

InChI

InChI=1S/C7H15NO3.2C2H7NO3S.Mg/c1-8(2,3)5-6(9)4-7(10)11;2*3-1-2-7(4,5)6;/h6,9H,4-5H2,1-3H3;2*1-3H2,(H,4,5,6);/q;;;+2/p-2