N-[2-(phenylmethylsulfanyl)ethyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide

Systemtic Name: N-[2-(phenylmethylsulfanyl)ethyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide Openeye Name: N-(2-benzylsulfanylethyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide CAS Name: N-[2-(phenylmethylthio)ethyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide IUPAC Name: N-(2-benzylsulfanylethyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Traditional Name: N-[2-(benzylthio)ethyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Formula: C20H25N2OS+ MolecularWeight: 341.4903

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CC(=O)NCCSCC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CC(=O)NCCSCC3=CC=CC=C3

InChI

InChI=1S/C20H24N2OS/c23-20(21-11-13-24-16-17-6-2-1-3-7-17)15-22-12-10-18-8-4-5-9-19(18)14-22/h1-9H,10-16H2,(H,21,23)/p+1