N-(3-cyanothiophen-2-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide

Systemtic Name: N-(3-cyanothiophen-2-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide Openeye Name: N-(3-cyano-2-thienyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide CAS Name: N-(3-cyano-2-thiophenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide IUPAC Name: N-(3-cyanothiophen-2-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Traditional Name: N-(3-cyano-2-thienyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Formula: C16H16N3OS+ MolecularWeight: 298.38274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CC(=O)NC3=C(C=CS3)C#N

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CC(=O)NC3=C(C=CS3)C#N

InChI

InChI=1S/C16H15N3OS/c17-9-13-6-8-21-16(13)18-15(20)11-19-7-5-12-3-1-2-4-14(12)10-19/h1-4,6,8H,5,7,10-11H2,(H,18,20)/p+1