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

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 6,7-dimethoxy-2-piperonyl-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C19H22NO4+ MolecularWeight: 328.38228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C[NH+](CCC2=C1)CC3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

COC1=C(C=C2C[NH+](CCC2=C1)CC3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C19H21NO4/c1-21-17-8-14-5-6-20(11-15(14)9-18(17)22-2)10-13-3-4-16-19(7-13)24-12-23-16/h3-4,7-9H,5-6,10-12H2,1-2H3/p+1