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

Systemtic Name: 5-phenyl-5-(1-propanoylpiperidin-1-ium-1-yl)-1,3-diazinane-2,4,6-trione Openeye Name: 5-phenyl-5-(1-propanoylpiperidin-1-ium-1-yl)hexahydropyrimidine-2,4,6-trione CAS Name: 5-[1-(1-oxopropyl)-1-piperidin-1-iumyl]-5-phenyl-1,3-diazinane-2,4,6-trione IUPAC Name: 5-phenyl-5-(1-propanoylpiperidin-1-ium-1-yl)-1,3-diazinane-2,4,6-trione Traditional Name: 5-phenyl-5-(1-propionylpiperidin-1-ium-1-yl)barbituric acid Formula: C18H22N3O4+ MolecularWeight: 344.38498

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)[N+]1(CCCCC1)C2(C(=O)NC(=O)NC2=O)C3=CC=CC=C3

Isomeric SMILES

CCC(=O)[N+]1(CCCCC1)C2(C(=O)NC(=O)NC2=O)C3=CC=CC=C3

InChI

InChI=1S/C18H21N3O4/c1-2-14(22)21(11-7-4-8-12-21)18(13-9-5-3-6-10-13)15(23)19-17(25)20-16(18)24/h3,5-6,9-10H,2,4,7-8,11-12H2,1H3,(H-,19,20,23,24,25)/p+1