6-[[(1R)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]-1,3-benzodioxol-5-ol

Systemtic Name: 6-[[(1R)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]-1,3-benzodioxol-5-ol Openeye Name: 6-[[(1R)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]-1,3-benzodioxol-5-ol CAS Name: 6-[[(1R)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]-1,3-benzodioxol-5-ol IUPAC Name: 6-[[(1R)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]-1,3-benzodioxol-5-ol Traditional Name: 6-[[(1R)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]sesamol Formula: C25H26NO5+ MolecularWeight: 420.47764

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C([NH+](CCC2=C1)CC3=CC4=C(C=C3O)OCO4)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C2[C@H]([NH+](CCC2=C1)CC3=CC4=C(C=C3O)OCO4)C5=CC=CC=C5)OC

InChI

InChI=1S/C25H25NO5/c1-28-21-10-17-8-9-26(14-18-11-23-24(13-20(18)27)31-15-30-23)25(16-6-4-3-5-7-16)19(17)12-22(21)29-2/h3-7,10-13,25,27H,8-9,14-15H2,1-2H3/p+1/t25-/m1/s1