(1S)-2-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: (1S)-2-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: (1S)-2-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: (1S)-2-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: (1S)-2-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: (1S)-6,7-dimethoxy-1-methyl-2-piperonyl-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C20H24NO4+ MolecularWeight: 342.40886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC(=C(C=C2CC[NH+]1CC3=CC4=C(C=C3)OCO4)OC)OC

Isomeric SMILES

C[C@H]1C2=CC(=C(C=C2CC[NH+]1CC3=CC4=C(C=C3)OCO4)OC)OC

InChI

InChI=1S/C20H23NO4/c1-13-16-10-19(23-3)18(22-2)9-15(16)6-7-21(13)11-14-4-5-17-20(8-14)25-12-24-17/h4-5,8-10,13H,6-7,11-12H2,1-3H3/p+1/t13-/m0/s1