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

Systemtic Name: 2-[(1S)-6,7-dimethoxy-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]-N-(2-methylsulfanylphenyl)ethanamide Openeye Name: 2-[(1S)-6,7-dimethoxy-1-(2-thienyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]-N-(2-methylsulfanylphenyl)acetamide CAS Name: 2-[(1S)-6,7-dimethoxy-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]-N-[2-(methylthio)phenyl]acetamide IUPAC Name: 2-[(1S)-6,7-dimethoxy-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]-N-(2-methylsulfanylphenyl)acetamide Traditional Name: 2-[(1S)-6,7-dimethoxy-1-(2-thienyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]-N-[2-(methylthio)phenyl]acetamide Formula: C24H27N2O3S2+ MolecularWeight: 455.61278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C([NH+](CCC2=C1)CC(=O)NC3=CC=CC=C3SC)C4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C2[C@H]([NH+](CCC2=C1)CC(=O)NC3=CC=CC=C3SC)C4=CC=CS4)OC

InChI

InChI=1S/C24H26N2O3S2/c1-28-19-13-16-10-11-26(15-23(27)25-18-7-4-5-8-21(18)30-3)24(22-9-6-12-31-22)17(16)14-20(19)29-2/h4-9,12-14,24H,10-11,15H2,1-3H3,(H,25,27)/p+1/t24-/m0/s1