5,6,7-trimethoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-isoquinolin-2-ium iodide

Systemtic Name: 5,6,7-trimethoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-isoquinolin-2-ium iodide Openeye Name: 5,6,7-trimethoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-isoquinolin-2-ium iodide CAS Name: 5,6,7-trimethoxy-1-[(4-methoxyphenyl)methyl]-2-methylisoquinolin-2-ium iodide IUPAC Name: 5,6,7-trimethoxy-1-[(4-methoxyphenyl)methyl]-2-methylisoquinolin-2-ium iodide Traditional Name: 5,6,7-trimethoxy-2-methyl-1-p-anisyl-isoquinolin-2-ium iodide Formula: C21H24INO4 MolecularWeight: 481.32403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24NO4.HI/c1-22-11-10-16-17(13-19(24-3)21(26-5)20(16)25-4)18(22)12-14-6-8-15(23-2)9-7-14;/h6-11,13H,12H2,1-5H3;1H/q+1;/p-1