2-oxidanylidenepentanedioic acid; trimethyl-[(2R)-2-(3-methylbutanoyloxy)-4-oxidanyl-4-oxidanylidene-butyl]azanium

Systemtic Name: 2-oxidanylidenepentanedioic acid; trimethyl-[(2R)-2-(3-methylbutanoyloxy)-4-oxidanyl-4-oxidanylidene-butyl]azanium Openeye Name: [(2R)-4-hydroxy-2-(3-methylbutanoyloxy)-4-oxo-butyl]-trimethyl-ammonium; 2-oxopentanedioic acid CAS Name: [(2R)-4-hydroxy-2-(3-methyl-1-oxobutoxy)-4-oxobutyl]-trimethylammonium; 2-oxopentanedioic acid IUPAC Name: [(2R)-4-hydroxy-2-(3-methylbutanoyloxy)-4-oxobutyl]-trimethylazanium; 2-oxopentanedioic acid Traditional Name: [(2R)-4-hydroxy-2-isovaleryloxy-4-keto-butyl]-trimethyl-ammonium; 2-ketoglutaric acid Formula: C17H30NO9+ MolecularWeight: 392.4214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H23NO4.C5H6O5/c1-9(2)6-12(16)17-10(7-11(14)15)8-13(3,4)5;6-3(5(9)10)1-2-4(7)8/h9-10H,6-8H2,1-5H3;1-2H2,(H,7,8)(H,9,10)/p+1/t10-;/m1./s1