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

Systemtic Name: 4-[(4-chlorophenyl)methyl]-6,7-dimethoxy-1-methyl-isoquinolin-2-ium bromide Openeye Name: 4-[(4-chlorophenyl)methyl]-6,7-dimethoxy-1-methyl-isoquinolin-2-ium bromide CAS Name: 4-[(4-chlorophenyl)methyl]-6,7-dimethoxy-1-methylisoquinolin-2-ium bromide IUPAC Name: 4-[(4-chlorophenyl)methyl]-6,7-dimethoxy-1-methylisoquinolin-2-ium bromide Traditional Name: 4-(4-chlorobenzyl)-6,7-dimethoxy-1-methyl-isoquinolin-2-ium bromide Formula: C19H19BrClNO2 MolecularWeight: 408.71666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C=C(C2=CC(=C(C=C12)OC)OC)CC3=CC=C(C=C3)Cl.[Br-]

Isomeric SMILES

CC1=[NH+]C=C(C2=CC(=C(C=C12)OC)OC)CC3=CC=C(C=C3)Cl.[Br-]

InChI

InChI=1S/C19H18ClNO2.BrH/c1-12-16-9-18(22-2)19(23-3)10-17(16)14(11-21-12)8-13-4-6-15(20)7-5-13;/h4-7,9-11H,8H2,1-3H3;1H