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

Systemtic Name: 4-[(2-bromophenyl)methyl]-2,2-dimethyl-1H-benzo[f]isoquinolin-3-ium chloride Openeye Name: 4-[(2-bromophenyl)methyl]-2,2-dimethyl-1H-benzo[f]isoquinolin-3-ium chloride CAS Name: 4-[(2-bromophenyl)methyl]-2,2-dimethyl-1H-benzo[f]isoquinolin-3-ium chloride IUPAC Name: 4-[(2-bromophenyl)methyl]-2,2-dimethyl-1H-benzo[f]isoquinolin-3-ium chloride Traditional Name: 4-(2-bromobenzyl)-2,2-dimethyl-1H-benz[f]isoquinolin-3-ium chloride Formula: C22H21BrClN MolecularWeight: 414.76584

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C=CC3=CC=CC=C23)C(=[NH+]1)CC4=CC=CC=C4Br)C.[Cl-]

Isomeric SMILES

CC1(CC2=C(C=CC3=CC=CC=C23)C(=[NH+]1)CC4=CC=CC=C4Br)C.[Cl-]

InChI

InChI=1S/C22H20BrN.ClH/c1-22(2)14-19-17-9-5-3-7-15(17)11-12-18(19)21(24-22)13-16-8-4-6-10-20(16)23;/h3-12H,13-14H2,1-2H3;1H