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

Systemtic Name: 5-isoquinolin-2-ium-2-yl-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 4-hydroxy-5-isoquinolin-2-ium-2-yl-1H-pyrimidin-6-one CAS Name: 4-hydroxy-5-(2-isoquinolin-2-iumyl)-1H-pyrimidin-6-one IUPAC Name: 4-hydroxy-5-isoquinolin-2-ium-2-yl-1H-pyrimidin-6-one Traditional Name: 4-hydroxy-5-isoquinolin-2-ium-2-yl-1H-pyrimidin-6-one Formula: C13H10N3O2+ MolecularWeight: 240.2374

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=[N+](C=CC2=C1)C3=C(N=CNC3=O)O

Isomeric SMILES

C1=CC=C2C=[N+](C=CC2=C1)C3=C(N=CNC3=O)O

InChI

InChI=1S/C13H9N3O2/c17-12-11(13(18)15-8-14-12)16-6-5-9-3-1-2-4-10(9)7-16/h1-8H,(H-,14,15,17,18)/p+1