5-isoquinolin-1-yl-5-(1-oxidanylpiperidin-1-ium-1-yl)-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-isoquinolin-1-yl-5-(1-oxidanylpiperidin-1-ium-1-yl)-1,3-diazinane-2,4,6-trione Openeye Name: 5-(1-hydroxypiperidin-1-ium-1-yl)-5-(1-isoquinolyl)hexahydropyrimidine-2,4,6-trione CAS Name: 5-(1-hydroxy-1-piperidin-1-iumyl)-5-(1-isoquinolinyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 5-(1-hydroxypiperidin-1-ium-1-yl)-5-isoquinolin-1-yl-1,3-diazinane-2,4,6-trione Traditional Name: 5-(1-hydroxypiperidin-1-ium-1-yl)-5-(1-isoquinolyl)barbituric acid Formula: C18H19N4O4+ MolecularWeight: 355.36786

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](CC1)(C2(C(=O)NC(=O)NC2=O)C3=NC=CC4=CC=CC=C43)O

Isomeric SMILES

C1CC[N+](CC1)(C2(C(=O)NC(=O)NC2=O)C3=NC=CC4=CC=CC=C43)O

InChI

InChI=1S/C18H18N4O4/c23-15-18(16(24)21-17(25)20-15,22(26)10-4-1-5-11-22)14-13-7-3-2-6-12(13)8-9-19-14/h2-3,6-9,26H,1,4-5,10-11H2,(H-,20,21,23,24,25)/p+1