4-[(4-chlorophenyl)methyl]-6,7-dimethoxy-1-(phenylmethyl)isoquinolin-2-ium bromide

Systemtic Name: 4-[(4-chlorophenyl)methyl]-6,7-dimethoxy-1-(phenylmethyl)isoquinolin-2-ium bromide Openeye Name: 1-benzyl-4-[(4-chlorophenyl)methyl]-6,7-dimethoxy-isoquinolin-2-ium bromide CAS Name: 4-[(4-chlorophenyl)methyl]-6,7-dimethoxy-1-(phenylmethyl)isoquinolin-2-ium bromide IUPAC Name: 1-benzyl-4-[(4-chlorophenyl)methyl]-6,7-dimethoxyisoquinolin-2-ium bromide Traditional Name: 1-benzyl-4-(4-chlorobenzyl)-6,7-dimethoxy-isoquinolin-2-ium bromide Formula: C25H23BrClNO2 MolecularWeight: 484.81262

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=C[NH+]=C2CC3=CC=CC=C3)CC4=CC=C(C=C4)Cl)OC.[Br-]

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C[NH+]=C2CC3=CC=CC=C3)CC4=CC=C(C=C4)Cl)OC.[Br-]

InChI

InChI=1S/C25H22ClNO2.BrH/c1-28-24-14-21-19(12-18-8-10-20(26)11-9-18)16-27-23(22(21)15-25(24)29-2)13-17-6-4-3-5-7-17;/h3-11,14-16H,12-13H2,1-2H3;1H