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

Systemtic Name: 4-[(4-chlorophenyl)methyl]-6,7-dimethoxy-isoquinolin-2-ium bromide Openeye Name: 4-[(4-chlorophenyl)methyl]-6,7-dimethoxy-isoquinolin-2-ium bromide CAS Name: 4-[(4-chlorophenyl)methyl]-6,7-dimethoxyisoquinolin-2-ium bromide IUPAC Name: 4-[(4-chlorophenyl)methyl]-6,7-dimethoxyisoquinolin-2-ium bromide Traditional Name: 4-(4-chlorobenzyl)-6,7-dimethoxy-isoquinolin-2-ium bromide Formula: C18H17BrClNO2 MolecularWeight: 394.69008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClNO2.BrH/c1-21-17-8-14-11-20-10-13(16(14)9-18(17)22-2)7-12-3-5-15(19)6-4-12;/h3-6,8-11H,7H2,1-2H3;1H