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

Systemtic Name: 1-[2-(1,3-benzodioxol-5-yl)ethyl]-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium Openeye Name: 1-[2-(1,3-benzodioxol-5-yl)ethyl]-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium CAS Name: 1-[2-(1,3-benzodioxol-5-yl)ethyl]-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium IUPAC Name: 1-[2-(1,3-benzodioxol-5-yl)ethyl]-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium Traditional Name: 1-homopiperonyl-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium Formula: C21H24NO4+ MolecularWeight: 354.41956

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H24NO4/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/q+1