2-isoquinolin-2-ium-2-yl-1-(4-methyl-2-oxidanyl-phenyl)ethanone

Systemtic Name: 2-isoquinolin-2-ium-2-yl-1-(4-methyl-2-oxidanyl-phenyl)ethanone Openeye Name: 1-(2-hydroxy-4-methyl-phenyl)-2-isoquinolin-2-ium-2-yl-ethanone CAS Name: 1-(2-hydroxy-4-methylphenyl)-2-(2-isoquinolin-2-iumyl)ethanone IUPAC Name: 1-(2-hydroxy-4-methylphenyl)-2-isoquinolin-2-ium-2-ylethanone Traditional Name: 1-(2-hydroxy-4-methyl-phenyl)-2-isoquinolin-2-ium-2-yl-ethanone Formula: C18H16NO2+ MolecularWeight: 278.32514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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