1-(2,5-dimethylphenyl)-2-isoquinolin-2-ium-2-yl-ethanone

Systemtic Name: 1-(2,5-dimethylphenyl)-2-isoquinolin-2-ium-2-yl-ethanone Openeye Name: 1-(2,5-dimethylphenyl)-2-isoquinolin-2-ium-2-yl-ethanone CAS Name: 1-(2,5-dimethylphenyl)-2-(2-isoquinolin-2-iumyl)ethanone IUPAC Name: 1-(2,5-dimethylphenyl)-2-isoquinolin-2-ium-2-ylethanone Traditional Name: 1-(2,5-dimethylphenyl)-2-isoquinolin-2-ium-2-yl-ethanone Formula: C19H18NO+ MolecularWeight: 276.35232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18NO/c1-14-7-8-15(2)18(11-14)19(21)13-20-10-9-16-5-3-4-6-17(16)12-20/h3-12H,13H2,1-2H3/q+1