5-isoquinolin-2-ium-2-yl-4-oxidanyl-2-phenyl-1H-pyrimidin-6-one

Systemtic Name: 5-isoquinolin-2-ium-2-yl-4-oxidanyl-2-phenyl-1H-pyrimidin-6-one Openeye Name: 4-hydroxy-5-isoquinolin-2-ium-2-yl-2-phenyl-1H-pyrimidin-6-one CAS Name: 4-hydroxy-5-(2-isoquinolin-2-iumyl)-2-phenyl-1H-pyrimidin-6-one IUPAC Name: 4-hydroxy-5-isoquinolin-2-ium-2-yl-2-phenyl-1H-pyrimidin-6-one Traditional Name: 4-hydroxy-5-isoquinolin-2-ium-2-yl-2-phenyl-1H-pyrimidin-6-one Formula: C19H14N3O2+ MolecularWeight: 316.33336

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=C(C(=O)N2)[N+]3=CC4=CC=CC=C4C=C3)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=C(C(=O)N2)[N+]3=CC4=CC=CC=C4C=C3)O

InChI

InChI=1S/C19H13N3O2/c23-18-16(22-11-10-13-6-4-5-9-15(13)12-22)19(24)21-17(20-18)14-7-2-1-3-8-14/h1-12H,(H-,20,21,23,24)/p+1