3-(4-fluorophenyl)-2-(4-methoxyphenyl)isoquinolin-2-ium iodide

Systemtic Name: 3-(4-fluorophenyl)-2-(4-methoxyphenyl)isoquinolin-2-ium iodide Openeye Name: 3-(4-fluorophenyl)-2-(4-methoxyphenyl)isoquinolin-2-ium iodide CAS Name: 3-(4-fluorophenyl)-2-(4-methoxyphenyl)isoquinolin-2-ium iodide IUPAC Name: 3-(4-fluorophenyl)-2-(4-methoxyphenyl)isoquinolin-2-ium iodide Traditional Name: 3-(4-fluorophenyl)-2-(4-methoxyphenyl)isoquinolin-2-ium iodide Formula: C22H17FINO MolecularWeight: 457.279353

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)[N+]2=CC3=CC=CC=C3C=C2C4=CC=C(C=C4)F.[I-]

Isomeric SMILES

COC1=CC=C(C=C1)[N+]2=CC3=CC=CC=C3C=C2C4=CC=C(C=C4)F.[I-]

InChI

InChI=1S/C22H17FNO.HI/c1-25-21-12-10-20(11-13-21)24-15-18-5-3-2-4-17(18)14-22(24)16-6-8-19(23)9-7-16;/h2-15H,1H3;1H/q+1;/p-1