trimethyl-[3-methyl-6-(trimethylazaniumyl)hexyl]azanium; (2R,3R)-2,3,4-tris(oxidanyl)-4-oxidanylidene-butanoate

Systemtic Name: trimethyl-[3-methyl-6-(trimethylazaniumyl)hexyl]azanium; (2R,3R)-2,3,4-tris(oxidanyl)-4-oxidanylidene-butanoate Openeye Name: (2R,3R)-2,3,4-trihydroxy-4-oxo-butanoate; trimethyl-[3-methyl-6-(trimethylammonio)hexyl]ammonium CAS Name: (2R,3R)-2,3,4-trihydroxy-4-oxobutanoate; trimethyl-[3-methyl-6-(trimethylammonio)hexyl]ammonium IUPAC Name: (2R,3R)-2,3,4-trihydroxy-4-oxobutanoate; trimethyl-[3-methyl-6-(trimethylazaniumyl)hexyl]azanium Traditional Name: (2R,3R)-2,3,4-trihydroxy-4-keto-butyrate; trimethyl-[3-methyl-6-(trimethylammonio)hexyl]ammonium Formula: C21H42N2O12 MolecularWeight: 514.56438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H32N2.2C4H6O6/c1-13(10-12-15(5,6)7)9-8-11-14(2,3)4;2*5-1(3(7)8)2(6)4(9)10/h13H,8-12H2,1-7H3;2*1-2,5-6H,(H,7,8)(H,9,10)/q+2;;/p-2/t;2*1-,2-/m.11/s1