2-isoquinolin-2-ium-2-yl-1-(5-methyl-2-oxidanyl-phenyl)ethanone iodide

Systemtic Name: 2-isoquinolin-2-ium-2-yl-1-(5-methyl-2-oxidanyl-phenyl)ethanone iodide Openeye Name: 1-(2-hydroxy-5-methyl-phenyl)-2-isoquinolin-2-ium-2-yl-ethanone iodide CAS Name: 1-(2-hydroxy-5-methylphenyl)-2-(2-isoquinolin-2-iumyl)ethanone iodide IUPAC Name: 1-(2-hydroxy-5-methylphenyl)-2-isoquinolin-2-ium-2-ylethanone iodide Traditional Name: 1-(2-hydroxy-5-methyl-phenyl)-2-isoquinolin-2-ium-2-yl-ethanone iodide Formula: C18H16INO2 MolecularWeight: 405.22961

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)C(=O)C[N+]2=CC3=CC=CC=C3C=C2.[I-]

Isomeric SMILES

CC1=CC(=C(C=C1)O)C(=O)C[N+]2=CC3=CC=CC=C3C=C2.[I-]

InChI

InChI=1S/C18H15NO2.HI/c1-13-6-7-17(20)16(10-13)18(21)12-19-9-8-14-4-2-3-5-15(14)11-19;/h2-11H,12H2,1H3;1H