2-(3-methylisoquinolin-2-ium-2-yl)-1-(4-phenylphenyl)ethanone iodide

Systemtic Name: 2-(3-methylisoquinolin-2-ium-2-yl)-1-(4-phenylphenyl)ethanone iodide Openeye Name: 2-(3-methylisoquinolin-2-ium-2-yl)-1-(4-phenylphenyl)ethanone iodide CAS Name: 2-(3-methyl-2-isoquinolin-2-iumyl)-1-(4-phenylphenyl)ethanone iodide IUPAC Name: 2-(3-methylisoquinolin-2-ium-2-yl)-1-(4-phenylphenyl)ethanone iodide Traditional Name: 2-(3-methylisoquinolin-2-ium-2-yl)-1-(4-phenylphenyl)ethanone iodide Formula: C24H20INO MolecularWeight: 465.32617

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC=CC=C2C=[N+]1CC(=O)C3=CC=C(C=C3)C4=CC=CC=C4.[I-]

Isomeric SMILES

CC1=CC2=CC=CC=C2C=[N+]1CC(=O)C3=CC=C(C=C3)C4=CC=CC=C4.[I-]

InChI

InChI=1S/C24H20NO.HI/c1-18-15-22-9-5-6-10-23(22)16-25(18)17-24(26)21-13-11-20(12-14-21)19-7-3-2-4-8-19;/h2-16H,17H2,1H3;1H/q+1;/p-1