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

Systemtic Name: 5-(benzimidazol-1-yl)-5-(1-oxidanylpiperidin-1-ium-1-yl)-1,3-diazinane-2,4,6-trione Openeye Name: 5-(benzimidazol-1-yl)-5-(1-hydroxypiperidin-1-ium-1-yl)hexahydropyrimidine-2,4,6-trione CAS Name: 5-(1-benzimidazolyl)-5-(1-hydroxy-1-piperidin-1-iumyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 5-(benzimidazol-1-yl)-5-(1-hydroxypiperidin-1-ium-1-yl)-1,3-diazinane-2,4,6-trione Traditional Name: 5-(benzimidazol-1-yl)-5-(1-hydroxypiperidin-1-ium-1-yl)barbituric acid Formula: C16H18N5O4+ MolecularWeight: 344.34522

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](CC1)(C2(C(=O)NC(=O)NC2=O)N3C=NC4=CC=CC=C43)O

Isomeric SMILES

C1CC[N+](CC1)(C2(C(=O)NC(=O)NC2=O)N3C=NC4=CC=CC=C43)O

InChI

InChI=1S/C16H17N5O4/c22-13-16(14(23)19-15(24)18-13,21(25)8-4-1-5-9-21)20-10-17-11-6-2-3-7-12(11)20/h2-3,6-7,10,25H,1,4-5,8-9H2,(H-,18,19,22,23,24)/p+1