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

Systemtic Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium bromide Openeye Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium bromide CAS Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium bromide IUPAC Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium bromide Traditional Name: 2-homoveratryl-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium bromide Formula: C21H26BrNO4 MolecularWeight: 436.33944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC[N+]2=CC3=CC(=C(C=C3CC2)OC)OC)OC.[Br-]

Isomeric SMILES

COC1=C(C=C(C=C1)CC[N+]2=CC3=CC(=C(C=C3CC2)OC)OC)OC.[Br-]

InChI

InChI=1S/C21H26NO4.BrH/c1-23-18-6-5-15(11-19(18)24-2)7-9-22-10-8-16-12-20(25-3)21(26-4)13-17(16)14-22;/h5-6,11-14H,7-10H2,1-4H3;1H/q+1;/p-1