5-phenyl-5-(3-pyridin-1-ium-1-ylpropyl)-1,3-diazinane-2,4,6-trione bromide

Systemtic Name: 5-phenyl-5-(3-pyridin-1-ium-1-ylpropyl)-1,3-diazinane-2,4,6-trione bromide Openeye Name: 5-phenyl-5-(3-pyridin-1-ium-1-ylpropyl)hexahydropyrimidine-2,4,6-trione bromide CAS Name: 5-phenyl-5-[3-(1-pyridin-1-iumyl)propyl]-1,3-diazinane-2,4,6-trione bromide IUPAC Name: 5-phenyl-5-(3-pyridin-1-ium-1-ylpropyl)-1,3-diazinane-2,4,6-trione bromide Traditional Name: 5-phenyl-5-(3-pyridin-1-ium-1-ylpropyl)barbituric acid bromide Formula: C18H18BrN3O3 MolecularWeight: 404.25782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2(C(=O)NC(=O)NC2=O)CCC[N+]3=CC=CC=C3.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C2(C(=O)NC(=O)NC2=O)CCC[N+]3=CC=CC=C3.[Br-]

InChI

InChI=1S/C18H17N3O3.BrH/c22-15-18(14-8-3-1-4-9-14,16(23)20-17(24)19-15)10-7-13-21-11-5-2-6-12-21;/h1-6,8-9,11-12H,7,10,13H2,(H-,19,20,22,23,24);1H