1-[(3-bromanyl-4,5-dimethoxy-phenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium iodide

Systemtic Name: 1-[(3-bromanyl-4,5-dimethoxy-phenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium iodide Openeye Name: 1-[(3-bromo-4,5-dimethoxy-phenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium iodide CAS Name: 1-[(3-bromo-4,5-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium iodide IUPAC Name: 1-[(3-bromo-4,5-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium iodide Traditional Name: 1-(3-bromo-4,5-dimethoxy-benzyl)-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium iodide Formula: C21H25BrINO4 MolecularWeight: 562.23597

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C2=CC(=C(C=C2CC1)OC)OC)CC3=CC(=C(C(=C3)Br)OC)OC.[I-]

Isomeric SMILES

C[N+]1=C(C2=CC(=C(C=C2CC1)OC)OC)CC3=CC(=C(C(=C3)Br)OC)OC.[I-]

InChI

InChI=1S/C21H25BrNO4.HI/c1-23-7-6-14-11-18(24-2)19(25-3)12-15(14)17(23)9-13-8-16(22)21(27-5)20(10-13)26-4;/h8,10-12H,6-7,9H2,1-5H3;1H/q+1;/p-1