3-[(4-bromophenyl)methyl]-2,2-dimethyl-3,4-dihydro-1H-benzo[f]isoquinolin-3-ium chloride

Systemtic Name: 3-[(4-bromophenyl)methyl]-2,2-dimethyl-3,4-dihydro-1H-benzo[f]isoquinolin-3-ium chloride Openeye Name: 3-[(4-bromophenyl)methyl]-2,2-dimethyl-3,4-dihydro-1H-benzo[f]isoquinolin-3-ium chloride CAS Name: 3-[(4-bromophenyl)methyl]-2,2-dimethyl-3,4-dihydro-1H-benzo[f]isoquinolin-3-ium chloride IUPAC Name: 3-[(4-bromophenyl)methyl]-2,2-dimethyl-3,4-dihydro-1H-benzo[f]isoquinolin-3-ium chloride Traditional Name: 3-(4-bromobenzyl)-2,2-dimethyl-3,4-dihydro-1H-benz[f]isoquinolin-3-ium chloride Formula: C22H23BrClN MolecularWeight: 416.78172

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C[NH+]1CC3=CC=C(C=C3)Br)C=CC4=CC=CC=C24)C.[Cl-]

Isomeric SMILES

CC1(CC2=C(C[NH+]1CC3=CC=C(C=C3)Br)C=CC4=CC=CC=C24)C.[Cl-]

InChI

InChI=1S/C22H22BrN.ClH/c1-22(2)13-21-18(10-9-17-5-3-4-6-20(17)21)15-24(22)14-16-7-11-19(23)12-8-16;/h3-12H,13-15H2,1-2H3;1H