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

Systemtic Name: 2-[(1R)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]-N-(2-methylsulfanylphenyl)ethanamide Openeye Name: 2-[(1R)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]-N-(2-methylsulfanylphenyl)acetamide CAS Name: 2-[(1R)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]-N-[2-(methylthio)phenyl]acetamide IUPAC Name: 2-[(1R)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]-N-(2-methylsulfanylphenyl)acetamide Traditional Name: 2-[(1R)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]-N-[2-(methylthio)phenyl]acetamide Formula: C26H29N2O3S+ MolecularWeight: 449.58506

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C([NH+](CCC2=C1)CC(=O)NC3=CC=CC=C3SC)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2[C@H]([NH+](CCC2=C1)CC(=O)NC3=CC=CC=C3SC)C4=CC=CC=C4)OC

InChI

InChI=1S/C26H28N2O3S/c1-30-22-15-19-13-14-28(17-25(29)27-21-11-7-8-12-24(21)32-3)26(18-9-5-4-6-10-18)20(19)16-23(22)31-2/h4-12,15-16,26H,13-14,17H2,1-3H3,(H,27,29)/p+1/t26-/m1/s1