6,7-dimethoxy-4-[(4-methoxyphenyl)methyl]isoquinolin-2-ium bromide

Systemtic Name: 6,7-dimethoxy-4-[(4-methoxyphenyl)methyl]isoquinolin-2-ium bromide Openeye Name: 6,7-dimethoxy-4-[(4-methoxyphenyl)methyl]isoquinolin-2-ium bromide CAS Name: 6,7-dimethoxy-4-[(4-methoxyphenyl)methyl]isoquinolin-2-ium bromide IUPAC Name: 6,7-dimethoxy-4-[(4-methoxyphenyl)methyl]isoquinolin-2-ium bromide Traditional Name: 6,7-dimethoxy-4-p-anisyl-isoquinolin-2-ium bromide Formula: C19H20BrNO3 MolecularWeight: 390.271

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC2=C[NH+]=CC3=CC(=C(C=C32)OC)OC.[Br-]

Isomeric SMILES

COC1=CC=C(C=C1)CC2=C[NH+]=CC3=CC(=C(C=C32)OC)OC.[Br-]

InChI

InChI=1S/C19H19NO3.BrH/c1-21-16-6-4-13(5-7-16)8-14-11-20-12-15-9-18(22-2)19(23-3)10-17(14)15;/h4-7,9-12H,8H2,1-3H3;1H