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

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium chloride Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium chloride CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium chloride IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium chloride Traditional Name: 1-homoveratryl-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium chloride Formula: C21H26ClNO4 MolecularWeight: 391.88844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC2=[NH+]CCC3=CC(=C(C=C32)OC)OC)OC.[Cl-]

Isomeric SMILES

COC1=C(C=C(C=C1)CCC2=[NH+]CCC3=CC(=C(C=C32)OC)OC)OC.[Cl-]

InChI

InChI=1S/C21H25NO4.ClH/c1-23-18-8-6-14(11-19(18)24-2)5-7-17-16-13-21(26-4)20(25-3)12-15(16)9-10-22-17;/h6,8,11-13H,5,7,9-10H2,1-4H3;1H