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

Systemtic Name: (4-bromanyl-1,3-benzodioxol-5-yl)-(6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium-1-yl)methanone iodide Openeye Name: (4-bromo-1,3-benzodioxol-5-yl)-(6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium-1-yl)methanone iodide CAS Name: (4-bromo-1,3-benzodioxol-5-yl)-(6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium-1-yl)methanone iodide IUPAC Name: (4-bromo-1,3-benzodioxol-5-yl)-(6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium-1-yl)methanone iodide Traditional Name: (4-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=C(C4=C(C=C3)OCO4)Br.[I-]

Isomeric SMILES

C[N+]1=C(C2=CC(=C(C=C2CC1)OC)OC)C(=O)C3=C(C4=C(C=C3)OCO4)Br.[I-]

InChI

InChI=1S/C20H19BrNO5.HI/c1-22-7-6-11-8-15(24-2)16(25-3)9-13(11)18(22)19(23)12-4-5-14-20(17(12)21)27-10-26-14;/h4-5,8-9H,6-7,10H2,1-3H3;1H/q+1;/p-1