(5E)-1-phenyl-5-[1-(3-piperidin-1-ium-1-ylpropylamino)ethylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: (5E)-1-phenyl-5-[1-(3-piperidin-1-ium-1-ylpropylamino)ethylidene]-1,3-diazinane-2,4,6-trione Openeye Name: (5E)-1-phenyl-5-[1-(3-piperidin-1-ium-1-ylpropylamino)ethylidene]hexahydropyrimidine-2,4,6-trione CAS Name: (5E)-1-phenyl-5-[1-[3-(1-piperidin-1-iumyl)propylamino]ethylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: (5E)-1-phenyl-5-[1-(3-piperidin-1-ium-1-ylpropylamino)ethylidene]-1,3-diazinane-2,4,6-trione Traditional Name: (5E)-1-phenyl-5-[1-(3-piperidin-1-ium-1-ylpropylamino)ethylidene]barbituric acid Formula: C20H27N4O3+ MolecularWeight: 371.45338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C(=O)NC(=O)N(C1=O)C2=CC=CC=C2)NCCC[NH+]3CCCCC3

Isomeric SMILES

C/C(=C\1/C(=O)NC(=O)N(C1=O)C2=CC=CC=C2)/NCCC[NH+]3CCCCC3

InChI

InChI=1S/C20H26N4O3/c1-15(21-11-8-14-23-12-6-3-7-13-23)17-18(25)22-20(27)24(19(17)26)16-9-4-2-5-10-16/h2,4-5,9-10,21H,3,6-8,11-14H2,1H3,(H,22,25,27)/p+1/b17-15+