[(2R)-2-acetyloxy-4-oxidanyl-4-oxidanylidene-butyl]-trimethyl-azanium; 2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylic acid

Systemtic Name: [(2R)-2-acetyloxy-4-oxidanyl-4-oxidanylidene-butyl]-trimethyl-azanium; 2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylic acid Openeye Name: [(2R)-2-acetoxy-4-hydroxy-4-oxo-butyl]-trimethyl-ammonium; 2,4-dioxo-1H-pyrimidine-6-carboxylic acid CAS Name: [(2R)-2-acetyloxy-4-hydroxy-4-oxobutyl]-trimethylammonium; 2,4-dioxo-1H-pyrimidine-6-carboxylic acid IUPAC Name: [(2R)-2-acetyloxy-4-hydroxy-4-oxobutyl]-trimethylazanium; 2,4-dioxo-1H-pyrimidine-6-carboxylic acid Traditional Name: [(2R)-2-acetoxy-4-hydroxy-4-keto-butyl]-trimethyl-ammonium; orotic acid Formula: C14H22N3O8+ MolecularWeight: 360.33978

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CC(=O)O)C[N+](C)(C)C.C1=C(NC(=O)NC1=O)C(=O)O

Isomeric SMILES

CC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C.C1=C(NC(=O)NC1=O)C(=O)O

InChI

InChI=1S/C9H17NO4.C5H4N2O4/c1-7(11)14-8(5-9(12)13)6-10(2,3)4;8-3-1-2(4(9)10)6-5(11)7-3/h8H,5-6H2,1-4H3;1H,(H,9,10)(H2,6,7,8,11)/p+1/t8-;/m1./s1