1-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-6,7-dimethoxy-isoquinolin-2-ium chloride

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-6,7-dimethoxy-isoquinolin-2-ium chloride Openeye Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)methyl]-6,7-dimethoxy-isoquinolin-2-ium chloride CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinolin-2-ium chloride IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinolin-2-ium chloride Traditional Name: 1-(2-bromo-4,5-dimethoxy-benzyl)-6,7-dimethoxy-isoquinolin-2-ium chloride Formula: C20H21BrClNO4 MolecularWeight: 454.74204

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=C[NH+]=C2CC3=CC(=C(C=C3Br)OC)OC)OC.[Cl-]

Isomeric SMILES

COC1=C(C=C2C(=C1)C=C[NH+]=C2CC3=CC(=C(C=C3Br)OC)OC)OC.[Cl-]

InChI

InChI=1S/C20H20BrNO4.ClH/c1-23-17-8-12-5-6-22-16(14(12)10-19(17)25-3)7-13-9-18(24-2)20(26-4)11-15(13)21;/h5-6,8-11H,7H2,1-4H3;1H