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

Systemtic Name: [2-[[2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]carbonyloxy]-3-carboxy-4-oxidanylidene-heptyl]-trimethyl-azanium Openeye Name: [3-carboxy-2-(2,4-dioxo-1H-pyrimidine-6-carbonyl)oxy-4-oxo-heptyl]-trimethyl-ammonium CAS Name: [3-carboxy-2-[(2,4-dioxo-1H-pyrimidin-6-yl)-oxomethoxy]-4-oxoheptyl]-trimethylammonium IUPAC Name: [3-carboxy-2-(2,4-dioxo-1H-pyrimidine-6-carbonyl)oxy-4-oxoheptyl]-trimethylazanium Traditional Name: [3-carboxy-2-(2,4-diketo-1H-pyrimidine-6-carbonyl)oxy-4-keto-heptyl]-trimethyl-ammonium Formula: C16H24N3O7+ MolecularWeight: 370.37766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O7/c1-5-6-10(20)13(14(22)23)11(8-19(2,3)4)26-15(24)9-7-12(21)18-16(25)17-9/h7,11,13H,5-6,8H2,1-4H3,(H2-,17,18,21,22,23,25)/p+1