6,7-dimethoxy-2-methyl-isoquinolin-2-ium iodide

Systemtic Name: 6,7-dimethoxy-2-methyl-isoquinolin-2-ium iodide Openeye Name: 6,7-dimethoxy-2-methyl-isoquinolin-2-ium iodide CAS Name: 6,7-dimethoxy-2-methylisoquinolin-2-ium iodide IUPAC Name: 6,7-dimethoxy-2-methylisoquinolin-2-ium iodide Traditional Name: 6,7-dimethoxy-2-methyl-isoquinolin-2-ium iodide Formula: C12H14INO2 MolecularWeight: 331.14953

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC2=CC(=C(C=C2C=C1)OC)OC.[I-]

Isomeric SMILES

C[N+]1=CC2=CC(=C(C=C2C=C1)OC)OC.[I-]

InChI

InChI=1S/C12H14NO2.HI/c1-13-5-4-9-6-11(14-2)12(15-3)7-10(9)8-13;/h4-8H,1-3H3;1H/q+1;/p-1