5-[1-[2,3-bis(oxidanyl)propyl]piperidin-1-ium-1-yl]-5-phenyl-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[1-[2,3-bis(oxidanyl)propyl]piperidin-1-ium-1-yl]-5-phenyl-1,3-diazinane-2,4,6-trione Openeye Name: 5-[1-(2,3-dihydroxypropyl)piperidin-1-ium-1-yl]-5-phenyl-hexahydropyrimidine-2,4,6-trione CAS Name: 5-[1-(2,3-dihydroxypropyl)-1-piperidin-1-iumyl]-5-phenyl-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[1-(2,3-dihydroxypropyl)piperidin-1-ium-1-yl]-5-phenyl-1,3-diazinane-2,4,6-trione Traditional Name: 5-(1-glycerylpiperidin-1-ium-1-yl)-5-phenyl-barbituric acid Formula: C18H24N3O5+ MolecularWeight: 362.40026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O5/c22-12-14(23)11-21(9-5-2-6-10-21)18(13-7-3-1-4-8-13)15(24)19-17(26)20-16(18)25/h1,3-4,7-8,14,22-23H,2,5-6,9-12H2,(H-,19,20,24,25,26)/p+1