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

Systemtic Name: 2-[(1R)-6,7-dimethoxy-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]-N-(propylcarbamoyl)ethanamide Openeye Name: 2-[(1R)-6,7-dimethoxy-1-(2-thienyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]-N-(propylcarbamoyl)acetamide CAS Name: 2-[(1R)-6,7-dimethoxy-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]-N-[oxo(propylamino)methyl]acetamide IUPAC Name: 2-[(1R)-6,7-dimethoxy-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]-N-(propylcarbamoyl)acetamide Traditional Name: 2-[(1R)-6,7-dimethoxy-1-(2-thienyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]-N-(propylcarbamoyl)acetamide Formula: C21H28N3O4S+ MolecularWeight: 418.52972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O4S/c1-4-8-22-21(26)23-19(25)13-24-9-7-14-11-16(27-2)17(28-3)12-15(14)20(24)18-6-5-10-29-18/h5-6,10-12,20H,4,7-9,13H2,1-3H3,(H2,22,23,25,26)/p+1/t20-/m1/s1