2-[(4-chlorophenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium bromide

Systemtic Name: 2-[(4-chlorophenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium bromide Openeye Name: 2-[(4-chlorophenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium bromide CAS Name: 2-[(4-chlorophenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium bromide IUPAC Name: 2-[(4-chlorophenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium bromide Traditional Name: 2-(4-chlorobenzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium bromide Formula: C18H21BrClNO2 MolecularWeight: 398.72184

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C[NH+](CCC2=C1)CC3=CC=C(C=C3)Cl)OC.[Br-]

Isomeric SMILES

COC1=C(C=C2C[NH+](CCC2=C1)CC3=CC=C(C=C3)Cl)OC.[Br-]

InChI

InChI=1S/C18H20ClNO2.BrH/c1-21-17-9-14-7-8-20(12-15(14)10-18(17)22-2)11-13-3-5-16(19)6-4-13;/h3-6,9-10H,7-8,11-12H2,1-2H3;1H