N-[2-(cyanomethylsulfanyl)phenyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide

Systemtic Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide Openeye Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide CAS Name: N-[2-(cyanomethylthio)phenyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide IUPAC Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Traditional Name: N-[2-(cyanomethylthio)phenyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Formula: C19H20N3OS+ MolecularWeight: 338.4466

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CC(=O)NC3=CC=CC=C3SCC#N

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CC(=O)NC3=CC=CC=C3SCC#N

InChI

InChI=1S/C19H19N3OS/c20-10-12-24-18-8-4-3-7-17(18)21-19(23)14-22-11-9-15-5-1-2-6-16(15)13-22/h1-8H,9,11-14H2,(H,21,23)/p+1