5-(1-oxidanylpiperidin-1-ium-1-yl)-5-pyridin-2-yl-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-(1-oxidanylpiperidin-1-ium-1-yl)-5-pyridin-2-yl-1,3-diazinane-2,4,6-trione Openeye Name: 5-(1-hydroxypiperidin-1-ium-1-yl)-5-(2-pyridyl)hexahydropyrimidine-2,4,6-trione CAS Name: 5-(1-hydroxy-1-piperidin-1-iumyl)-5-(2-pyridinyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 5-(1-hydroxypiperidin-1-ium-1-yl)-5-pyridin-2-yl-1,3-diazinane-2,4,6-trione Traditional Name: 5-(1-hydroxypiperidin-1-ium-1-yl)-5-(2-pyridyl)barbituric acid Formula: C14H17N4O4+ MolecularWeight: 305.30918

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](CC1)(C2(C(=O)NC(=O)NC2=O)C3=CC=CC=N3)O

Isomeric SMILES

C1CC[N+](CC1)(C2(C(=O)NC(=O)NC2=O)C3=CC=CC=N3)O

InChI

InChI=1S/C14H16N4O4/c19-11-14(10-6-2-3-7-15-10,12(20)17-13(21)16-11)18(22)8-4-1-5-9-18/h2-3,6-7,22H,1,4-5,8-9H2,(H-,16,17,19,20,21)/p+1