8-bromanyl-1-[(3,4-dimethoxyphenyl)methyl]-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium

Systemtic Name: 8-bromanyl-1-[(3,4-dimethoxyphenyl)methyl]-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium Openeye Name: 8-bromo-1-[(3,4-dimethoxyphenyl)methyl]-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium CAS Name: 8-bromo-1-[(3,4-dimethoxyphenyl)methyl]-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium IUPAC Name: 8-bromo-1-[(3,4-dimethoxyphenyl)methyl]-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium Traditional Name: 8-bromo-2,2-dimethyl-1-veratryl-3,4-dihydro-1H-isoquinolin-2-ium Formula: C20H25BrNO2+ MolecularWeight: 391.322

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC2=C(C1CC3=CC(=C(C=C3)OC)OC)C(=CC=C2)Br)C

Isomeric SMILES

C[N+]1(CCC2=C(C1CC3=CC(=C(C=C3)OC)OC)C(=CC=C2)Br)C

InChI

InChI=1S/C20H25BrNO2/c1-22(2)11-10-15-6-5-7-16(21)20(15)17(22)12-14-8-9-18(23-3)19(13-14)24-4/h5-9,13,17H,10-12H2,1-4H3/q+1