2-(8-iodanyloctyl)-3-methyl-isoquinolin-2-ium

Systemtic Name: 2-(8-iodanyloctyl)-3-methyl-isoquinolin-2-ium Openeye Name: 2-(8-iodooctyl)-3-methyl-isoquinolin-2-ium CAS Name: 2-(8-iodooctyl)-3-methylisoquinolin-2-ium IUPAC Name: 2-(8-iodooctyl)-3-methylisoquinolin-2-ium Traditional Name: 2-(8-iodooctyl)-3-methyl-isoquinolin-2-ium Formula: C18H25IN+ MolecularWeight: 382.30227

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC=CC=C2C=[N+]1CCCCCCCCI

Isomeric SMILES

CC1=CC2=CC=CC=C2C=[N+]1CCCCCCCCI

InChI

InChI=1S/C18H25IN/c1-16-14-17-10-6-7-11-18(17)15-20(16)13-9-5-3-2-4-8-12-19/h6-7,10-11,14-15H,2-5,8-9,12-13H2,1H3/q+1