5-[C-methyl-N-(3-piperidin-1-ium-1-ylpropyl)carbonimidoyl]-1-phenyl-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[C-methyl-N-(3-piperidin-1-ium-1-ylpropyl)carbonimidoyl]-1-phenyl-1,3-diazinane-2,4,6-trione Openeye Name: 5-[C-methyl-N-(3-piperidin-1-ium-1-ylpropyl)carbonimidoyl]-1-phenyl-hexahydropyrimidine-2,4,6-trione CAS Name: 1-phenyl-5-[1-[3-(1-piperidin-1-iumyl)propylimino]ethyl]-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[C-methyl-N-(3-piperidin-1-ium-1-ylpropyl)carbonimidoyl]-1-phenyl-1,3-diazinane-2,4,6-trione Traditional Name: 5-[C-methyl-N-(3-piperidin-1-ium-1-ylpropyl)carbonimidoyl]-1-phenyl-barbituric acid Formula: C20H27N4O3+ MolecularWeight: 371.45338

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NCCC[NH+]1CCCCC1)C2C(=O)NC(=O)N(C2=O)C3=CC=CC=C3

Isomeric SMILES

CC(=NCCC[NH+]1CCCCC1)C2C(=O)NC(=O)N(C2=O)C3=CC=CC=C3

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/h2,4-5,9-10,17H,3,6-8,11-14H2,1H3,(H,22,25,27)/p+1