5-[(4-chlorophenyl)methyl]-5-(1-oxidanylpiperidin-1-ium-1-yl)-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[(4-chlorophenyl)methyl]-5-(1-oxidanylpiperidin-1-ium-1-yl)-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(4-chlorophenyl)methyl]-5-(1-hydroxypiperidin-1-ium-1-yl)hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(4-chlorophenyl)methyl]-5-(1-hydroxy-1-piperidin-1-iumyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(4-chlorophenyl)methyl]-5-(1-hydroxypiperidin-1-ium-1-yl)-1,3-diazinane-2,4,6-trione Traditional Name: 5-(4-chlorobenzyl)-5-(1-hydroxypiperidin-1-ium-1-yl)barbituric acid Formula: C16H19ClN3O4+ MolecularWeight: 352.79276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18ClN3O4/c17-12-6-4-11(5-7-12)10-16(20(24)8-2-1-3-9-20)13(21)18-15(23)19-14(16)22/h4-7,24H,1-3,8-10H2,(H-,18,19,21,22,23)/p+1