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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrNO5.HI/c1-23-9-8-12-10-16(26-3)17(27-4)11-14(12)19(23)20(24)13-6-7-15(25-2)21(28-5)18(13)22;/h6-7,10-11H,8-9H2,1-5H3;1H/q+1;/p-1