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

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-6,7-dimethoxy-2-methyl-isoquinolin-2-ium chloride Openeye Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)methyl]-6,7-dimethoxy-2-methyl-isoquinolin-2-ium chloride CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methylisoquinolin-2-ium chloride IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methylisoquinolin-2-ium chloride Traditional Name: 1-(2-bromo-4,5-dimethoxy-benzyl)-6,7-dimethoxy-2-methyl-isoquinolin-2-ium chloride Formula: C21H23BrClNO4 MolecularWeight: 468.76862

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C2=CC(=C(C=C2C=C1)OC)OC)CC3=CC(=C(C=C3Br)OC)OC.[Cl-]

Isomeric SMILES

C[N+]1=C(C2=CC(=C(C=C2C=C1)OC)OC)CC3=CC(=C(C=C3Br)OC)OC.[Cl-]

InChI

InChI=1S/C21H23BrNO4.ClH/c1-23-7-6-13-9-18(24-2)20(26-4)11-15(13)17(23)8-14-10-19(25-3)21(27-5)12-16(14)22;/h6-7,9-12H,8H2,1-5H3;1H/q+1;/p-1