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

Systemtic Name: (6-bromanyl-1,3-benzodioxol-5-yl)-(6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium-1-yl)methanone iodide Openeye Name: (6-bromo-1,3-benzodioxol-5-yl)-(6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium-1-yl)methanone iodide CAS Name: (6-bromo-1,3-benzodioxol-5-yl)-(6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium-1-yl)methanone iodide IUPAC Name: (6-bromo-1,3-benzodioxol-5-yl)-(6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium-1-yl)methanone iodide Traditional Name: (6-bromo-1,3-benzodioxol-5-yl)-(6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium-1-yl)methanone iodide Formula: C20H19BrINO5 MolecularWeight: 560.17703

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C2=CC(=C(C=C2CC1)OC)OC)C(=O)C3=CC4=C(C=C3Br)OCO4.[I-]

Isomeric SMILES

C[N+]1=C(C2=CC(=C(C=C2CC1)OC)OC)C(=O)C3=CC4=C(C=C3Br)OCO4.[I-]

InChI

InChI=1S/C20H19BrNO5.HI/c1-22-5-4-11-6-15(24-2)16(25-3)7-12(11)19(22)20(23)13-8-17-18(9-14(13)21)27-10-26-17;/h6-9H,4-5,10H2,1-3H3;1H/q+1;/p-1