7,8-dimethoxy-4-[(3-methoxyphenyl)methyl]-2-methyl-isoquinolin-2-ium iodide

Systemtic Name: 7,8-dimethoxy-4-[(3-methoxyphenyl)methyl]-2-methyl-isoquinolin-2-ium iodide Openeye Name: 7,8-dimethoxy-4-[(3-methoxyphenyl)methyl]-2-methyl-isoquinolin-2-ium iodide CAS Name: 7,8-dimethoxy-4-[(3-methoxyphenyl)methyl]-2-methylisoquinolin-2-ium iodide IUPAC Name: 7,8-dimethoxy-4-[(3-methoxyphenyl)methyl]-2-methylisoquinolin-2-ium iodide Traditional Name: 4-m-anisyl-7,8-dimethoxy-2-methyl-isoquinolin-2-ium iodide Formula: C20H22INO3 MolecularWeight: 451.29805

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC(=C2C=CC(=C(C2=C1)OC)OC)CC3=CC(=CC=C3)OC.[I-]

Isomeric SMILES

C[N+]1=CC(=C2C=CC(=C(C2=C1)OC)OC)CC3=CC(=CC=C3)OC.[I-]

InChI

InChI=1S/C20H22NO3.HI/c1-21-12-15(10-14-6-5-7-16(11-14)22-2)17-8-9-19(23-3)20(24-4)18(17)13-21;/h5-9,11-13H,10H2,1-4H3;1H/q+1;/p-1