1-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium Traditional Name: 6,7-dimethoxy-2,2-dimethyl-1-piperonyl-3,4-dihydro-1H-isoquinolin-2-ium Formula: C21H26NO4+ MolecularWeight: 356.43544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC4=C(C=C3)OCO4)OC)OC)C

Isomeric SMILES

C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC4=C(C=C3)OCO4)OC)OC)C

InChI

InChI=1S/C21H26NO4/c1-22(2)8-7-15-11-19(23-3)20(24-4)12-16(15)17(22)9-14-5-6-18-21(10-14)26-13-25-18/h5-6,10-12,17H,7-9,13H2,1-4H3/q+1