1-[(2-iodanyl-4,5-dimethoxy-phenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium iodide

Systemtic Name: 1-[(2-iodanyl-4,5-dimethoxy-phenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium iodide Openeye Name: 1-[(2-iodo-4,5-dimethoxy-phenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium iodide CAS Name: 1-[(2-iodo-4,5-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium iodide IUPAC Name: 1-[(2-iodo-4,5-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium iodide Traditional Name: 1-(2-iodo-4,5-dimethoxy-benzyl)-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium iodide Formula: C21H25I2NO4 MolecularWeight: 609.23644

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C2=CC(=C(C=C2CC1)OC)OC)CC3=CC(=C(C=C3I)OC)OC.[I-]

Isomeric SMILES

C[N+]1=C(C2=CC(=C(C=C2CC1)OC)OC)CC3=CC(=C(C=C3I)OC)OC.[I-]

InChI

InChI=1S/C21H25INO4.HI/c1-23-7-6-13-9-18(24-2)20(26-4)11-15(13)17(23)8-14-10-19(25-3)21(27-5)12-16(14)22;/h9-12H,6-8H2,1-5H3;1H/q+1;/p-1