2-[(6-bromanyl-4H-1,3-benzodioxin-8-yl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: 2-[(6-bromanyl-4H-1,3-benzodioxin-8-yl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: 2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C20H23BrNO4+ MolecularWeight: 421.30492

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C[NH+](CCC2=C1)CC3=C4C(=CC(=C3)Br)COCO4)OC

Isomeric SMILES

COC1=C(C=C2C[NH+](CCC2=C1)CC3=C4C(=CC(=C3)Br)COCO4)OC

InChI

InChI=1S/C20H22BrNO4/c1-23-18-7-13-3-4-22(9-14(13)8-19(18)24-2)10-15-5-17(21)6-16-11-25-12-26-20(15)16/h5-8H,3-4,9-12H2,1-2H3/p+1