3-(2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl)oxy-2-ethanoyl-4-(trimethylazaniumyl)butanoate

Systemtic Name: 3-(2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl)oxy-2-ethanoyl-4-(trimethylazaniumyl)butanoate Openeye Name: 2-acetyl-3-(2-amino-4-hydroxy-4-oxo-butanoyl)oxy-4-(trimethylammonio)butanoate CAS Name: 2-acetyl-3-(2-amino-4-hydroxy-1,4-dioxobutoxy)-4-(trimethylammonio)butanoate IUPAC Name: 2-acetyl-3-(2-amino-4-hydroxy-4-oxobutanoyl)oxy-4-(trimethylazaniumyl)butanoate Traditional Name: 2-acetyl-3-(2-amino-4-hydroxy-4-keto-butanoyl)oxy-4-(trimethylammonio)butyrate Formula: C13H22N2O7 MolecularWeight: 318.32298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H22N2O7/c1-7(16)11(12(19)20)9(6-15(2,3)4)22-13(21)8(14)5-10(17)18/h8-9,11H,5-6,14H2,1-4H3,(H-,17,18,19,20)