1-[(3,4-dimethoxyphenyl)methyl]-7,8-dimethoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium iodide

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-7,8-dimethoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium iodide Openeye Name: 1-[(3,4-dimethoxyphenyl)methyl]-7,8-dimethoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium iodide CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-7,8-dimethoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium iodide IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-7,8-dimethoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium iodide Traditional Name: 7,8-dimethoxy-2,2-dimethyl-1-veratryl-3,4-dihydro-1H-isoquinolin-2-ium iodide Formula: C22H30INO4 MolecularWeight: 499.38237

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC2=C(C1CC3=CC(=C(C=C3)OC)OC)C(=C(C=C2)OC)OC)C.[I-]

Isomeric SMILES

C[N+]1(CCC2=C(C1CC3=CC(=C(C=C3)OC)OC)C(=C(C=C2)OC)OC)C.[I-]

InChI

InChI=1S/C22H30NO4.HI/c1-23(2)12-11-16-8-10-19(25-4)22(27-6)21(16)17(23)13-15-7-9-18(24-3)20(14-15)26-5;/h7-10,14,17H,11-13H2,1-6H3;1H/q+1;/p-1