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

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

Systemtic Name:6-[(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-1,3-benzodioxol-5-ol
Openeye Name:6-[(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-1,3-benzodioxol-5-ol
CAS Name:6-[(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-1,3-benzodioxol-5-ol
IUPAC Name:6-[(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-1,3-benzodioxol-5-ol
Traditional Name:6-[(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]sesamol
Formula: C21H26NO5+
MolecularWeight: 372.43484
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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C[NH+](CCC2=C1)CC3=CC4=C(C=C3O)OCO4)OCC


Isomeric SMILES

CCOC1=C(C=C2C[NH+](CCC2=C1)CC3=CC4=C(C=C3O)OCO4)OCC


InChI

InChI=1S/C21H25NO5/c1-3-24-18-7-14-5-6-22(11-15(14)8-19(18)25-4-2)12-16-9-20-21(10-17(16)23)27-13-26-20/h7-10,23H,3-6,11-13H2,1-2H3/p+1


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