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

Systemtic Name: (2-bromanyl-4,5-dimethoxy-phenyl)-(6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium-1-yl)methanone iodide Openeye Name: (2-bromo-4,5-dimethoxy-phenyl)-(6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium-1-yl)methanone iodide CAS Name: (2-bromo-4,5-dimethoxyphenyl)-(6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium-1-yl)methanone iodide IUPAC Name: (2-bromo-4,5-dimethoxyphenyl)-(6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium-1-yl)methanone iodide Traditional Name: (2-bromo-4,5-dimethoxy-phenyl)-(6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium-1-yl)methanone iodide Formula: C21H23BrINO5 MolecularWeight: 576.21949

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C2=CC(=C(C=C2CC1)OC)OC)C(=O)C3=CC(=C(C=C3Br)OC)OC.[I-]

Isomeric SMILES

C[N+]1=C(C2=CC(=C(C=C2CC1)OC)OC)C(=O)C3=CC(=C(C=C3Br)OC)OC.[I-]

InChI

InChI=1S/C21H23BrNO5.HI/c1-23-7-6-12-8-16(25-2)17(26-3)9-13(12)20(23)21(24)14-10-18(27-4)19(28-5)11-15(14)22;/h8-11H,6-7H2,1-5H3;1H/q+1;/p-1