2-hydroxyethyl(trimethyl)azanium; 4-(trimethylazaniumyl)-3-[1,3,4-tris(oxidanyl)-1,4-bis(oxidanylidene)butan-2-yl]oxy-butanoate

Systemtic Name: 2-hydroxyethyl(trimethyl)azanium; 4-(trimethylazaniumyl)-3-[1,3,4-tris(oxidanyl)-1,4-bis(oxidanylidene)butan-2-yl]oxy-butanoate Openeye Name: 3-(1-carboxy-2,3-dihydroxy-3-oxo-propoxy)-4-(trimethylammonio)butanoate; 2-hydroxyethyl(trimethyl)ammonium CAS Name: 2-hydroxyethyl(trimethyl)ammonium; 3-(1,3,4-trihydroxy-1,4-dioxobutan-2-yl)oxy-4-(trimethylammonio)butanoate IUPAC Name: 2-hydroxyethyl(trimethyl)azanium; 3-(1,3,4-trihydroxy-1,4-dioxobutan-2-yl)oxy-4-(trimethylazaniumyl)butanoate Traditional Name: 3-(1-carboxy-2,3-dihydroxy-3-keto-propoxy)-4-(trimethylammonio)butyrate; 2-hydroxyethyl(trimethyl)ammonium Formula: C16H33N2O9+ MolecularWeight: 397.44122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H19NO8.C5H14NO/c1-12(2,3)5-6(4-7(13)14)20-9(11(18)19)8(15)10(16)17;1-6(2,3)4-5-7/h6,8-9,15H,4-5H2,1-3H3,(H2-,13,14,16,17,18,19);7H,4-5H2,1-3H3/q;+1