[2-[[2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]carbonyloxy]-3-carboxy-4-oxidanylidene-hexyl]-trimethyl-azanium

Systemtic Name: [2-[[2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]carbonyloxy]-3-carboxy-4-oxidanylidene-hexyl]-trimethyl-azanium Openeye Name: [3-carboxy-2-(2,4-dioxo-1H-pyrimidine-6-carbonyl)oxy-4-oxo-hexyl]-trimethyl-ammonium CAS Name: [3-carboxy-2-[(2,4-dioxo-1H-pyrimidin-6-yl)-oxomethoxy]-4-oxohexyl]-trimethylammonium IUPAC Name: [3-carboxy-2-(2,4-dioxo-1H-pyrimidine-6-carbonyl)oxy-4-oxohexyl]-trimethylazanium Traditional Name: [3-carboxy-2-(2,4-diketo-1H-pyrimidine-6-carbonyl)oxy-4-keto-hexyl]-trimethyl-ammonium Formula: C15H22N3O7+ MolecularWeight: 356.35108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O7/c1-5-9(19)12(13(21)22)10(7-18(2,3)4)25-14(23)8-6-11(20)17-15(24)16-8/h6,10,12H,5,7H2,1-4H3,(H2-,16,17,20,21,22,24)/p+1