2-isoquinolin-2-ium-2-yl-1-(2-methoxy-3-methyl-phenyl)ethanone iodide

Systemtic Name: 2-isoquinolin-2-ium-2-yl-1-(2-methoxy-3-methyl-phenyl)ethanone iodide Openeye Name: 2-isoquinolin-2-ium-2-yl-1-(2-methoxy-3-methyl-phenyl)ethanone iodide CAS Name: 2-(2-isoquinolin-2-iumyl)-1-(2-methoxy-3-methylphenyl)ethanone iodide IUPAC Name: 2-isoquinolin-2-ium-2-yl-1-(2-methoxy-3-methylphenyl)ethanone iodide Traditional Name: 2-isoquinolin-2-ium-2-yl-1-(2-methoxy-3-methyl-phenyl)ethanone iodide Formula: C19H18INO2 MolecularWeight: 419.25619

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1OC)C(=O)C[N+]2=CC3=CC=CC=C3C=C2.[I-]

Isomeric SMILES

CC1=CC=CC(=C1OC)C(=O)C[N+]2=CC3=CC=CC=C3C=C2.[I-]

InChI

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