2,4-bis(oxidanylidene)-3-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]-1H-pyrimidine-6-carboxylate

Systemtic Name: 2,4-bis(oxidanylidene)-3-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]-1H-pyrimidine-6-carboxylate Openeye Name: 3-[(4-benzylpiperidin-1-ium-1-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxylate CAS Name: 2,4-dioxo-3-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-1H-pyrimidine-6-carboxylate IUPAC Name: 3-[(4-benzylpiperidin-1-ium-1-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxylate Traditional Name: 3-[(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)CN3C(=O)C=C(NC3=O)C(=O)[O-]

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)CN3C(=O)C=C(NC3=O)C(=O)[O-]

InChI

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