magnesium; (E)-but-2-enedioate; 3-oxidanyl-4-(trimethylazaniumyl)butanoate

Systemtic Name: magnesium; (E)-but-2-enedioate; 3-oxidanyl-4-(trimethylazaniumyl)butanoate Openeye Name: magnesium; (E)-but-2-enedioate; 3-hydroxy-4-(trimethylammonio)butanoate CAS Name: magnesium; (E)-2-butenedioate; 3-hydroxy-4-(trimethylammonio)butanoate IUPAC Name: magnesium; (E)-but-2-enedioate; 3-hydroxy-4-(trimethylazaniumyl)butanoate Traditional Name: magnesium 3-hydroxy-4-(trimethylammonio)butyrate fumarate Formula: C11H17MgNO7 MolecularWeight: 299.56018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H15NO3.C4H4O4.Mg/c1-8(2,3)5-6(9)4-7(10)11;5-3(6)1-2-4(7)8;/h6,9H,4-5H2,1-3H3;1-2H,(H,5,6)(H,7,8);/q;;+2/p-2/b;2-1+;