3-[(2-chlorophenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium bromide

Systemtic Name: 3-[(2-chlorophenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium bromide Openeye Name: 3-[(2-chlorophenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium bromide CAS Name: 3-[(2-chlorophenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium bromide IUPAC Name: 3-[(2-chlorophenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium bromide Traditional Name: 3-(2-chlorobenzyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium bromide Formula: C18H19BrClNO2 MolecularWeight: 396.70596

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C=[NH+]C(CC2=C1)CC3=CC=CC=C3Cl)OC.[Br-]

Isomeric SMILES

COC1=C(C=C2C=[NH+]C(CC2=C1)CC3=CC=CC=C3Cl)OC.[Br-]

InChI

InChI=1S/C18H18ClNO2.BrH/c1-21-17-9-13-8-15(7-12-5-3-4-6-16(12)19)20-11-14(13)10-18(17)22-2;/h3-6,9-11,15H,7-8H2,1-2H3;1H