2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-N-[(1R)-1-thiophen-2-ylethyl]ethanamide

Systemtic Name: 2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-N-[(1R)-1-thiophen-2-ylethyl]ethanamide Openeye Name: 2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-N-[(1R)-1-(2-thienyl)ethyl]acetamide CAS Name: 2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide IUPAC Name: 2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide Traditional Name: 2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-N-[(1R)-1-(2-thienyl)ethyl]acetamide Formula: C17H21N2OS+ MolecularWeight: 301.42644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)NC(=O)C[NH+]2CCC3=CC=CC=C3C2

Isomeric SMILES

C[C@H](C1=CC=CS1)NC(=O)C[NH+]2CCC3=CC=CC=C3C2

InChI

InChI=1S/C17H20N2OS/c1-13(16-7-4-10-21-16)18-17(20)12-19-9-8-14-5-2-3-6-15(14)11-19/h2-7,10,13H,8-9,11-12H2,1H3,(H,18,20)/p+1/t13-/m1/s1