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

Systemtic Name: 5-isoquinolin-2-ium-2-yl-2-methyl-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 4-hydroxy-5-isoquinolin-2-ium-2-yl-2-methyl-1H-pyrimidin-6-one CAS Name: 4-hydroxy-5-(2-isoquinolin-2-iumyl)-2-methyl-1H-pyrimidin-6-one IUPAC Name: 4-hydroxy-5-isoquinolin-2-ium-2-yl-2-methyl-1H-pyrimidin-6-one Traditional Name: 4-hydroxy-5-isoquinolin-2-ium-2-yl-2-methyl-1H-pyrimidin-6-one Formula: C14H12N3O2+ MolecularWeight: 254.26398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=O)N1)[N+]2=CC3=CC=CC=C3C=C2)O

Isomeric SMILES

CC1=NC(=C(C(=O)N1)[N+]2=CC3=CC=CC=C3C=C2)O

InChI

InChI=1S/C14H11N3O2/c1-9-15-13(18)12(14(19)16-9)17-7-6-10-4-2-3-5-11(10)8-17/h2-8H,1H3,(H-,15,16,18,19)/p+1