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

Systemtic Name: 2-isoquinolin-2-ium-2-yl-1-(2-methoxy-4-methyl-phenyl)ethanone iodide Openeye Name: 2-isoquinolin-2-ium-2-yl-1-(2-methoxy-4-methyl-phenyl)ethanone iodide CAS Name: 2-(2-isoquinolin-2-iumyl)-1-(2-methoxy-4-methylphenyl)ethanone iodide IUPAC Name: 2-isoquinolin-2-ium-2-yl-1-(2-methoxy-4-methylphenyl)ethanone iodide Traditional Name: 2-isoquinolin-2-ium-2-yl-1-(2-methoxy-4-methyl-phenyl)ethanone iodide Formula: C19H18INO2 MolecularWeight: 419.25619

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18NO2.HI/c1-14-7-8-17(19(11-14)22-2)18(21)13-20-10-9-15-5-3-4-6-16(15)12-20;/h3-12H,13H2,1-2H3;1H/q+1;/p-1