2-ethanoyl-3-oxidanyl-4-(trimethylazaniumyl)butanoate; 2-hydroxyethyl(trimethyl)azanium; 2,3,4-tris(oxidanyl)-4-oxidanylidene-butanoate

Systemtic Name: 2-ethanoyl-3-oxidanyl-4-(trimethylazaniumyl)butanoate; 2-hydroxyethyl(trimethyl)azanium; 2,3,4-tris(oxidanyl)-4-oxidanylidene-butanoate Openeye Name: 2-acetyl-3-hydroxy-4-(trimethylammonio)butanoate; 2-hydroxyethyl(trimethyl)ammonium; 2,3,4-trihydroxy-4-oxo-butanoate CAS Name: 2-acetyl-3-hydroxy-4-(trimethylammonio)butanoate; 2-hydroxyethyl(trimethyl)ammonium; 2,3,4-trihydroxy-4-oxobutanoate IUPAC Name: 2-acetyl-3-hydroxy-4-(trimethylazaniumyl)butanoate; 2-hydroxyethyl(trimethyl)azanium; 2,3,4-trihydroxy-4-oxobutanoate Traditional Name: 2-acetyl-3-hydroxy-4-(trimethylammonio)butyrate; 2-hydroxyethyl(trimethyl)ammonium; 2,3,4-trihydroxy-4-keto-butyrate Formula: C18H36N2O11 MolecularWeight: 456.48524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H17NO4.C5H14NO.C4H6O6/c1-6(11)8(9(13)14)7(12)5-10(2,3)4;1-6(2,3)4-5-7;5-1(3(7)8)2(6)4(9)10/h7-8,12H,5H2,1-4H3;7H,4-5H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/q;+1;/p-1