2-[(4-bromophenyl)methyl]-6,7-dimethoxy-3,3-dimethyl-2,4-dihydro-1H-isoquinolin-2-ium chloride

Systemtic Name: 2-[(4-bromophenyl)methyl]-6,7-dimethoxy-3,3-dimethyl-2,4-dihydro-1H-isoquinolin-2-ium chloride Openeye Name: 2-[(4-bromophenyl)methyl]-6,7-dimethoxy-3,3-dimethyl-2,4-dihydro-1H-isoquinolin-2-ium chloride CAS Name: 2-[(4-bromophenyl)methyl]-6,7-dimethoxy-3,3-dimethyl-2,4-dihydro-1H-isoquinolin-2-ium chloride IUPAC Name: 2-[(4-bromophenyl)methyl]-6,7-dimethoxy-3,3-dimethyl-2,4-dihydro-1H-isoquinolin-2-ium chloride Traditional Name: 2-(4-bromobenzyl)-6,7-dimethoxy-3,3-dimethyl-2,4-dihydro-1H-isoquinolin-2-ium chloride Formula: C20H25BrClNO2 MolecularWeight: 426.775

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC(=C(C=C2C[NH+]1CC3=CC=C(C=C3)Br)OC)OC)C.[Cl-]

Isomeric SMILES

CC1(CC2=CC(=C(C=C2C[NH+]1CC3=CC=C(C=C3)Br)OC)OC)C.[Cl-]

InChI

InChI=1S/C20H24BrNO2.ClH/c1-20(2)11-15-9-18(23-3)19(24-4)10-16(15)13-22(20)12-14-5-7-17(21)8-6-14;/h5-10H,11-13H2,1-4H3;1H