2-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-6,7-dimethoxy-isoquinolin-2-ium

Systemtic Name: 2-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-6,7-dimethoxy-isoquinolin-2-ium Openeye Name: 2-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-6,7-dimethoxy-isoquinolin-2-ium CAS Name: 2-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-6,7-dimethoxyisoquinolin-2-ium IUPAC Name: 2-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-6,7-dimethoxyisoquinolin-2-ium Traditional Name: 2-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-6,7-dimethoxy-isoquinolin-2-ium Formula: C21H23BrNO4+ MolecularWeight: 433.31562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C=[N+](C=CC2=C1)CCC3=CC(=C(C=C3Br)OC)OC)OC

Isomeric SMILES

COC1=C(C=C2C=[N+](C=CC2=C1)CCC3=CC(=C(C=C3Br)OC)OC)OC

InChI

InChI=1S/C21H23BrNO4/c1-24-18-9-14-5-7-23(13-16(14)11-20(18)26-3)8-6-15-10-19(25-2)21(27-4)12-17(15)22/h5,7,9-13H,6,8H2,1-4H3/q+1