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

Systemtic Name: 5-(1-oxidanylpiperidin-1-ium-1-yl)-5-phenethyl-1,3-diazinane-2,4,6-trione Openeye Name: 5-(1-hydroxypiperidin-1-ium-1-yl)-5-phenethyl-hexahydropyrimidine-2,4,6-trione CAS Name: 5-(1-hydroxy-1-piperidin-1-iumyl)-5-phenethyl-1,3-diazinane-2,4,6-trione IUPAC Name: 5-(1-hydroxypiperidin-1-ium-1-yl)-5-phenethyl-1,3-diazinane-2,4,6-trione Traditional Name: 5-(1-hydroxypiperidin-1-ium-1-yl)-5-phenethyl-barbituric acid Formula: C17H22N3O4+ MolecularWeight: 332.37428

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](CC1)(C2(C(=O)NC(=O)NC2=O)CCC3=CC=CC=C3)O

Isomeric SMILES

C1CC[N+](CC1)(C2(C(=O)NC(=O)NC2=O)CCC3=CC=CC=C3)O

InChI

InChI=1S/C17H21N3O4/c21-14-17(15(22)19-16(23)18-14,20(24)11-5-2-6-12-20)10-9-13-7-3-1-4-8-13/h1,3-4,7-8,24H,2,5-6,9-12H2,(H-,18,19,21,22,23)/p+1