6,7-dimethoxy-N'-[2-(2-methoxyphenoxy)ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-2-carboximidamide bromide

Systemtic Name: 6,7-dimethoxy-N'-[2-(2-methoxyphenoxy)ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-2-carboximidamide bromide Openeye Name: 6,7-dimethoxy-N'-[2-(2-methoxyphenoxy)ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-2-carboxamidine bromide CAS Name: 6,7-dimethoxy-N'-[2-(2-methoxyphenoxy)ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-2-carboximidamide bromide IUPAC Name: 6,7-dimethoxy-N'-[2-(2-methoxyphenoxy)ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-2-carboximidamide bromide Traditional Name: 6,7-dimethoxy-N'-[2-(2-methoxyphenoxy)ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-2-carboxamidine bromide Formula: C21H28BrN3O4 MolecularWeight: 466.36872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OCCN=C(N)[NH+]2CCC3=CC(=C(C=C3C2)OC)OC.[Br-]

Isomeric SMILES

COC1=CC=CC=C1OCCN=C(N)[NH+]2CCC3=CC(=C(C=C3C2)OC)OC.[Br-]

InChI

InChI=1S/C21H27N3O4.BrH/c1-25-17-6-4-5-7-18(17)28-11-9-23-21(22)24-10-8-15-12-19(26-2)20(27-3)13-16(15)14-24;/h4-7,12-13H,8-11,14H2,1-3H3,(H2,22,23);1H