1-[2-(1,3-benzodioxol-5-yl)ethyl]-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium iodide

Systemtic Name: 1-[2-(1,3-benzodioxol-5-yl)ethyl]-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium iodide Openeye Name: 1-[2-(1,3-benzodioxol-5-yl)ethyl]-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium iodide CAS Name: 1-[2-(1,3-benzodioxol-5-yl)ethyl]-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium iodide IUPAC Name: 1-[2-(1,3-benzodioxol-5-yl)ethyl]-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium iodide Traditional Name: 1-homopiperonyl-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium iodide Formula: C21H24INO4 MolecularWeight: 481.32403

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C2=CC(=C(C=C2CC1)OC)OC)CCC3=CC4=C(C=C3)OCO4.[I-]

Isomeric SMILES

C[N+]1=C(C2=CC(=C(C=C2CC1)OC)OC)CCC3=CC4=C(C=C3)OCO4.[I-]

InChI

InChI=1S/C21H24NO4.HI/c1-22-9-8-15-11-19(23-2)20(24-3)12-16(15)17(22)6-4-14-5-7-18-21(10-14)26-13-25-18;/h5,7,10-12H,4,6,8-9,13H2,1-3H3;1H/q+1;/p-1