5-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5,6,7,8-tetrahydroisoquinolin-2-ium iodide

Systemtic Name: 5-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5,6,7,8-tetrahydroisoquinolin-2-ium iodide Openeye Name: 5-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5,6,7,8-tetrahydroisoquinolin-2-ium iodide CAS Name: 5-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5,6,7,8-tetrahydroisoquinolin-2-ium iodide IUPAC Name: 5-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5,6,7,8-tetrahydroisoquinolin-2-ium iodide Traditional Name: 5-homoveratryl-2-methyl-5,6,7,8-tetrahydroisoquinolin-2-ium iodide Formula: C20H26INO2 MolecularWeight: 439.33041

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC2=C(C=C1)C(CCC2)CCC3=CC(=C(C=C3)OC)OC.[I-]

Isomeric SMILES

C[N+]1=CC2=C(C=C1)C(CCC2)CCC3=CC(=C(C=C3)OC)OC.[I-]

InChI

InChI=1S/C20H26NO2.HI/c1-21-12-11-18-16(5-4-6-17(18)14-21)9-7-15-8-10-19(22-2)20(13-15)23-3;/h8,10-14,16H,4-7,9H2,1-3H3;1H/q+1;/p-1