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

Systemtic Name: 5-[(4-chlorophenyl)methyl]-1-(1-oxidanylpiperidin-1-ium-1-yl)-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(4-chlorophenyl)methyl]-1-(1-hydroxypiperidin-1-ium-1-yl)hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(4-chlorophenyl)methyl]-1-(1-hydroxy-1-piperidin-1-iumyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(4-chlorophenyl)methyl]-1-(1-hydroxypiperidin-1-ium-1-yl)-1,3-diazinane-2,4,6-trione Traditional Name: 5-(4-chlorobenzyl)-1-(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)(N2C(=O)C(C(=O)NC2=O)CC3=CC=C(C=C3)Cl)O

Isomeric SMILES

C1CC[N+](CC1)(N2C(=O)C(C(=O)NC2=O)CC3=CC=C(C=C3)Cl)O

InChI

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