5-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylate

Systemtic Name: 5-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylate Openeye Name: 5-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-2,4-dioxo-1H-pyrimidine-6-carboxylate CAS Name: 5-[[(3R)-3-methyl-1-piperidin-1-iumyl]methyl]-2,4-dioxo-1H-pyrimidine-6-carboxylate IUPAC Name: 5-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-2,4-dioxo-1H-pyrimidine-6-carboxylate Traditional Name: 2,4-diketo-5-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-pyrimidine-6-carboxylate Formula: C12H17N3O4 MolecularWeight: 267.28108

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=C(NC(=O)NC2=O)C(=O)[O-]

Isomeric SMILES

C[C@@H]1CCC[NH+](C1)CC2=C(NC(=O)NC2=O)C(=O)[O-]

InChI

InChI=1S/C12H17N3O4/c1-7-3-2-4-15(5-7)6-8-9(11(17)18)13-12(19)14-10(8)16/h7H,2-6H2,1H3,(H,17,18)(H2,13,14,16,19)/t7-/m1/s1