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

Systemtic Name: 2,4-bis(oxidanylidene)-5-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]-1H-pyrimidine-6-carboxylate Openeye Name: 5-[(4-benzylpiperidin-1-ium-1-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxylate CAS Name: 2,4-dioxo-5-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-1H-pyrimidine-6-carboxylate IUPAC Name: 5-[(4-benzylpiperidin-1-ium-1-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxylate Traditional Name: 5-[(4-benzylpiperidin-1-ium-1-yl)methyl]-2,4-diketo-1H-pyrimidine-6-carboxylate Formula: C18H21N3O4 MolecularWeight: 343.37704

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)CC3=C(NC(=O)NC3=O)C(=O)[O-]

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)CC3=C(NC(=O)NC3=O)C(=O)[O-]

InChI

InChI=1S/C18H21N3O4/c22-16-14(15(17(23)24)19-18(25)20-16)11-21-8-6-13(7-9-21)10-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H,23,24)(H2,19,20,22,25)