2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-N-(2-methylsulfanylphenyl)ethanamide

Systemtic Name: 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-N-(2-methylsulfanylphenyl)ethanamide Openeye Name: 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-N-(2-methylsulfanylphenyl)acetamide CAS Name: 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-N-[2-(methylthio)phenyl]acetamide IUPAC Name: 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-N-(2-methylsulfanylphenyl)acetamide Traditional Name: 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-N-[2-(methylthio)phenyl]acetamide Formula: C20H25N2O3S+ MolecularWeight: 373.4891

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C[NH+](CCC2=C1)CC(=O)NC3=CC=CC=C3SC)OC

Isomeric SMILES

COC1=C(C=C2C[NH+](CCC2=C1)CC(=O)NC3=CC=CC=C3SC)OC

InChI

InChI=1S/C20H24N2O3S/c1-24-17-10-14-8-9-22(12-15(14)11-18(17)25-2)13-20(23)21-16-6-4-5-7-19(16)26-3/h4-7,10-11H,8-9,12-13H2,1-3H3,(H,21,23)/p+1