4-[(4-chlorophenyl)methyl]-6,7,8-trimethoxy-isoquinolin-2-ium bromide

Systemtic Name: 4-[(4-chlorophenyl)methyl]-6,7,8-trimethoxy-isoquinolin-2-ium bromide Openeye Name: 4-[(4-chlorophenyl)methyl]-6,7,8-trimethoxy-isoquinolin-2-ium bromide CAS Name: 4-[(4-chlorophenyl)methyl]-6,7,8-trimethoxyisoquinolin-2-ium bromide IUPAC Name: 4-[(4-chlorophenyl)methyl]-6,7,8-trimethoxyisoquinolin-2-ium bromide Traditional Name: 4-(4-chlorobenzyl)-6,7,8-trimethoxy-isoquinolin-2-ium bromide Formula: C19H19BrClNO3 MolecularWeight: 424.71606

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C=[NH+]C=C(C2=C1)CC3=CC=C(C=C3)Cl)OC)OC.[Br-]

Isomeric SMILES

COC1=C(C(=C2C=[NH+]C=C(C2=C1)CC3=CC=C(C=C3)Cl)OC)OC.[Br-]

InChI

InChI=1S/C19H18ClNO3.BrH/c1-22-17-9-15-13(8-12-4-6-14(20)7-5-12)10-21-11-16(15)18(23-2)19(17)24-3;/h4-7,9-11H,8H2,1-3H3;1H