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

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium iodide Openeye Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium iodide CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium iodide IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium iodide Traditional Name: 6,7-dimethoxy-2-methyl-1-veratryl-3,4-dihydroisoquinolin-2-ium iodide Formula: C21H26INO4 MolecularWeight: 483.33991

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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=C3)OC)OC.[I-]

Isomeric SMILES

C[N+]1=C(C2=CC(=C(C=C2CC1)OC)OC)CC3=CC(=C(C=C3)OC)OC.[I-]

InChI

InChI=1S/C21H26NO4.HI/c1-22-9-8-15-12-20(25-4)21(26-5)13-16(15)17(22)10-14-6-7-18(23-2)19(11-14)24-3;/h6-7,11-13H,8-10H2,1-5H3;1H/q+1;/p-1