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

Systemtic Name: (3R)-3-[[2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]carbonyloxy]-4-(trimethylazaniumyl)butanoate Openeye Name: (3R)-3-(2,4-dioxo-1H-pyrimidine-6-carbonyl)oxy-4-(trimethylammonio)butanoate CAS Name: (3R)-3-[(2,4-dioxo-1H-pyrimidin-6-yl)-oxomethoxy]-4-(trimethylammonio)butanoate IUPAC Name: (3R)-3-(2,4-dioxo-1H-pyrimidine-6-carbonyl)oxy-4-(trimethylazaniumyl)butanoate Traditional Name: (3R)-3-(2,4-diketo-1H-pyrimidine-6-carbonyl)oxy-4-(trimethylammonio)butyrate Formula: C12H17N3O6 MolecularWeight: 299.27988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O6/c1-15(2,3)6-7(4-10(17)18)21-11(19)8-5-9(16)14-12(20)13-8/h5,7H,4,6H2,1-3H3,(H2-,13,14,16,17,18,20)/t7-/m1/s1