magnesium; (3R)-3-acetyloxy-4-(trimethylazaniumyl)butanoate; 2,3-bis(oxidanyl)butanedioate

Systemtic Name: magnesium; (3R)-3-acetyloxy-4-(trimethylazaniumyl)butanoate; 2,3-bis(oxidanyl)butanedioate Openeye Name: magnesium; (3R)-3-acetoxy-4-(trimethylammonio)butanoate; 2,3-dihydroxybutanedioate CAS Name: magnesium; (3R)-3-acetyloxy-4-(trimethylammonio)butanoate; 2,3-dihydroxybutanedioate IUPAC Name: magnesium; (3R)-3-acetyloxy-4-(trimethylazaniumyl)butanoate; 2,3-dihydroxybutanedioate Traditional Name: magnesium (3R)-3-acetoxy-4-(trimethylammonio)butyrate tartrate Formula: C13H21MgNO10 MolecularWeight: 375.61154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H17NO4.C4H6O6.Mg/c1-7(11)14-8(5-9(12)13)6-10(2,3)4;5-1(3(7)8)2(6)4(9)10;/h8H,5-6H2,1-4H3;1-2,5-6H,(H,7,8)(H,9,10);/q;;+2/p-2/t8-;;/m1../s1