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

Systemtic Name: 1-[2-(4-chlorophenyl)sulfanylethyl]-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride Openeye Name: 1-[2-(4-chlorophenyl)sulfanylethyl]-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride CAS Name: 1-[2-[(4-chlorophenyl)thio]ethyl]-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride IUPAC Name: 1-[2-(4-chlorophenyl)sulfanylethyl]-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride Traditional Name: 1-[2-[(4-chlorophenyl)thio]ethyl]-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride Formula: C20H25Cl2NO2S MolecularWeight: 414.389

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC2=CC(=C(C=C2C1CCSC3=CC=C(C=C3)Cl)OC)OC.[Cl-]

Isomeric SMILES

C[NH+]1CCC2=CC(=C(C=C2C1CCSC3=CC=C(C=C3)Cl)OC)OC.[Cl-]

InChI

InChI=1S/C20H24ClNO2S.ClH/c1-22-10-8-14-12-19(23-2)20(24-3)13-17(14)18(22)9-11-25-16-6-4-15(21)5-7-16;/h4-7,12-13,18H,8-11H2,1-3H3;1H