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

Systemtic Name: 2-[2-[(1R)-6,7-dimethoxy-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]ethanoylamino]-N-ethyl-ethanamide Openeye Name: 2-[[2-[(1R)-6,7-dimethoxy-1-(2-thienyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetyl]amino]-N-ethyl-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-ethylacetamide IUPAC Name: 2-[[2-[(1R)-6,7-dimethoxy-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetyl]amino]-N-ethylacetamide Traditional Name: 2-[[2-[(1R)-6,7-dimethoxy-1-(2-thienyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetyl]amino]-N-ethyl-acetamide Formula: C21H28N3O4S+ MolecularWeight: 418.52972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O4S/c1-4-22-19(25)12-23-20(26)13-24-8-7-14-10-16(27-2)17(28-3)11-15(14)21(24)18-6-5-9-29-18/h5-6,9-11,21H,4,7-8,12-13H2,1-3H3,(H,22,25)(H,23,26)/p+1/t21-/m1/s1