2-[2-[(1R)-6,7-dimethoxy-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]ethanoylamino]-N-methyl-ethanamide

Systemtic Name: 2-[2-[(1R)-6,7-dimethoxy-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]ethanoylamino]-N-methyl-ethanamide Openeye Name: 2-[[2-[(1R)-6,7-dimethoxy-1-(2-thienyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetyl]amino]-N-methyl-acetamide CAS Name: 2-[[2-[(1R)-6,7-dimethoxy-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]-1-oxoethyl]amino]-N-methylacetamide IUPAC Name: 2-[[2-[(1R)-6,7-dimethoxy-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetyl]amino]-N-methylacetamide Traditional Name: 2-[[2-[(1R)-6,7-dimethoxy-1-(2-thienyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetyl]amino]-N-methyl-acetamide Formula: C20H26N3O4S+ MolecularWeight: 404.50314

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CNC(=O)C[NH+]1CCC2=CC(=C(C=C2C1C3=CC=CS3)OC)OC

Isomeric SMILES

CNC(=O)CNC(=O)C[NH+]1CCC2=CC(=C(C=C2[C@@H]1C3=CC=CS3)OC)OC

InChI

InChI=1S/C20H25N3O4S/c1-21-18(24)11-22-19(25)12-23-7-6-13-9-15(26-2)16(27-3)10-14(13)20(23)17-5-4-8-28-17/h4-5,8-10,20H,6-7,11-12H2,1-3H3,(H,21,24)(H,22,25)/p+1/t20-/m1/s1