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

Systemtic Name: 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-N-(3-methylsulfonylphenyl)ethanamide Openeye Name: 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-N-(3-methylsulfonylphenyl)acetamide CAS Name: 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-N-(3-methylsulfonylphenyl)acetamide IUPAC Name: 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-N-(3-methylsulfonylphenyl)acetamide Traditional Name: 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-N-(3-mesylphenyl)acetamide Formula: C20H25N2O5S+ MolecularWeight: 405.4879

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C[NH+](CCC2=C1)CC(=O)NC3=CC(=CC=C3)S(=O)(=O)C)OC

Isomeric SMILES

COC1=C(C=C2C[NH+](CCC2=C1)CC(=O)NC3=CC(=CC=C3)S(=O)(=O)C)OC

InChI

InChI=1S/C20H24N2O5S/c1-26-18-9-14-7-8-22(12-15(14)10-19(18)27-2)13-20(23)21-16-5-4-6-17(11-16)28(3,24)25/h4-6,9-11H,7-8,12-13H2,1-3H3,(H,21,23)/p+1