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

Systemtic Name: 5-(1-oxidanylpiperidin-1-ium-1-yl)-5-(phenylmethyl)-1,3-diazinane-2,4,6-trione Openeye Name: 5-benzyl-5-(1-hydroxypiperidin-1-ium-1-yl)hexahydropyrimidine-2,4,6-trione CAS Name: 5-(1-hydroxy-1-piperidin-1-iumyl)-5-(phenylmethyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 5-benzyl-5-(1-hydroxypiperidin-1-ium-1-yl)-1,3-diazinane-2,4,6-trione Traditional Name: 5-benzyl-5-(1-hydroxypiperidin-1-ium-1-yl)barbituric acid Formula: C16H20N3O4+ MolecularWeight: 318.3477

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](CC1)(C2(C(=O)NC(=O)NC2=O)CC3=CC=CC=C3)O

Isomeric SMILES

C1CC[N+](CC1)(C2(C(=O)NC(=O)NC2=O)CC3=CC=CC=C3)O

InChI

InChI=1S/C16H19N3O4/c20-13-16(14(21)18-15(22)17-13,11-12-7-3-1-4-8-12)19(23)9-5-2-6-10-19/h1,3-4,7-8,23H,2,5-6,9-11H2,(H-,17,18,20,21,22)/p+1