1-[(3,4-dimethoxyphenyl)methyl]-2,2,8-trimethyl-3,4-dihydro-1H-isoquinolin-2-ium iodide

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-2,2,8-trimethyl-3,4-dihydro-1H-isoquinolin-2-ium iodide Openeye Name: 1-[(3,4-dimethoxyphenyl)methyl]-2,2,8-trimethyl-3,4-dihydro-1H-isoquinolin-2-ium iodide CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-2,2,8-trimethyl-3,4-dihydro-1H-isoquinolin-2-ium iodide IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-2,2,8-trimethyl-3,4-dihydro-1H-isoquinolin-2-ium iodide Traditional Name: 2,2,8-trimethyl-1-veratryl-3,4-dihydro-1H-isoquinolin-2-ium iodide Formula: C21H28INO2 MolecularWeight: 453.35699

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1C([N+](CC2)(C)C)CC3=CC(=C(C=C3)OC)OC.[I-]

Isomeric SMILES

CC1=CC=CC2=C1C([N+](CC2)(C)C)CC3=CC(=C(C=C3)OC)OC.[I-]

InChI

InChI=1S/C21H28NO2.HI/c1-15-7-6-8-17-11-12-22(2,3)18(21(15)17)13-16-9-10-19(23-4)20(14-16)24-5;/h6-10,14,18H,11-13H2,1-5H3;1H/q+1;/p-1