6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-isoquinolin-2-ium iodide

Systemtic Name: 6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-isoquinolin-2-ium iodide Openeye Name: 6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-isoquinolin-2-ium iodide CAS Name: 6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-2-methylisoquinolin-2-ium iodide IUPAC Name: 6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-2-methylisoquinolin-2-ium iodide Traditional Name: 6,7-dimethoxy-2-methyl-1-p-anisyl-isoquinolin-2-ium iodide Formula: C20H22INO3 MolecularWeight: 451.29805

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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