1-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium iodide

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium iodide Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium iodide CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium iodide IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium iodide Traditional Name: 1-homoveratryl-6,7-dimethoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium iodide Formula: C23H32INO4 MolecularWeight: 513.40895

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC2=CC(=C(C=C2C1CCC3=CC(=C(C=C3)OC)OC)OC)OC)C.[I-]

Isomeric SMILES

C[N+]1(CCC2=CC(=C(C=C2C1CCC3=CC(=C(C=C3)OC)OC)OC)OC)C.[I-]

InChI

InChI=1S/C23H32NO4.HI/c1-24(2)12-11-17-14-22(27-5)23(28-6)15-18(17)19(24)9-7-16-8-10-20(25-3)21(13-16)26-4;/h8,10,13-15,19H,7,9,11-12H2,1-6H3;1H/q+1;/p-1