5-phenyl-5-(1-propylpiperazin-1-ium-1-yl)-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-phenyl-5-(1-propylpiperazin-1-ium-1-yl)-1,3-diazinane-2,4,6-trione Openeye Name: 5-phenyl-5-(1-propylpiperazin-1-ium-1-yl)hexahydropyrimidine-2,4,6-trione CAS Name: 5-phenyl-5-(1-propyl-1-piperazin-1-iumyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 5-phenyl-5-(1-propylpiperazin-1-ium-1-yl)-1,3-diazinane-2,4,6-trione Traditional Name: 5-phenyl-5-(1-propylpiperazin-1-ium-1-yl)barbituric acid Formula: C17H23N4O3+ MolecularWeight: 331.38952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(CCNCC1)C2(C(=O)NC(=O)NC2=O)C3=CC=CC=C3

Isomeric SMILES

CCC[N+]1(CCNCC1)C2(C(=O)NC(=O)NC2=O)C3=CC=CC=C3

InChI

InChI=1S/C17H22N4O3/c1-2-10-21(11-8-18-9-12-21)17(13-6-4-3-5-7-13)14(22)19-16(24)20-15(17)23/h3-7,18H,2,8-12H2,1H3,(H-,19,20,22,23,24)/p+1