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

Systemtic Name: 5-[(4-ethoxycarbonylpiperidin-1-ium-1-yl)methyl]-2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylate Openeye Name: 5-[(4-ethoxycarbonylpiperidin-1-ium-1-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxylate CAS Name: 5-[(4-ethoxycarbonyl-1-piperidin-1-iumyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxylate IUPAC Name: 5-[(4-ethoxycarbonylpiperidin-1-ium-1-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxylate Traditional Name: 5-[(4-carbethoxypiperidin-1-ium-1-yl)methyl]-2,4-diketo-1H-pyrimidine-6-carboxylate Formula: C14H19N3O6 MolecularWeight: 325.31716

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC2=C(NC(=O)NC2=O)C(=O)[O-]

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC2=C(NC(=O)NC2=O)C(=O)[O-]

InChI

InChI=1S/C14H19N3O6/c1-2-23-13(21)8-3-5-17(6-4-8)7-9-10(12(19)20)15-14(22)16-11(9)18/h8H,2-7H2,1H3,(H,19,20)(H2,15,16,18,22)