3-[[2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]carbonyloxy]-2-ethanoyl-4-(trimethylazaniumyl)butanoate

Systemtic Name: 3-[[2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]carbonyloxy]-2-ethanoyl-4-(trimethylazaniumyl)butanoate Openeye Name: 2-acetyl-3-(2,4-dioxo-1H-pyrimidine-6-carbonyl)oxy-4-(trimethylammonio)butanoate CAS Name: 2-acetyl-3-[(2,4-dioxo-1H-pyrimidin-6-yl)-oxomethoxy]-4-(trimethylammonio)butanoate IUPAC Name: 2-acetyl-3-(2,4-dioxo-1H-pyrimidine-6-carbonyl)oxy-4-(trimethylazaniumyl)butanoate Traditional Name: 2-acetyl-3-(2,4-diketo-1H-pyrimidine-6-carbonyl)oxy-4-(trimethylammonio)butyrate Formula: C14H19N3O7 MolecularWeight: 341.31656

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(C[N+](C)(C)C)OC(=O)C1=CC(=O)NC(=O)N1)C(=O)[O-]

Isomeric SMILES

CC(=O)C(C(C[N+](C)(C)C)OC(=O)C1=CC(=O)NC(=O)N1)C(=O)[O-]

InChI

InChI=1S/C14H19N3O7/c1-7(18)11(12(20)21)9(6-17(2,3)4)24-13(22)8-5-10(19)16-14(23)15-8/h5,9,11H,6H2,1-4H3,(H2-,15,16,19,20,21,23)