N-[2-(4-bromophenyl)sulfanylethyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide

Systemtic Name: N-[2-(4-bromophenyl)sulfanylethyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide Openeye Name: N-[2-(4-bromophenyl)sulfanylethyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide CAS Name: N-[2-[(4-bromophenyl)thio]ethyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide IUPAC Name: N-[2-(4-bromophenyl)sulfanylethyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Traditional Name: N-[2-[(4-bromophenyl)thio]ethyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Formula: C19H22BrN2OS+ MolecularWeight: 406.35978

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CC(=O)NCCSC3=CC=C(C=C3)Br

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CC(=O)NCCSC3=CC=C(C=C3)Br

InChI

InChI=1S/C19H21BrN2OS/c20-17-5-7-18(8-6-17)24-12-10-21-19(23)14-22-11-9-15-3-1-2-4-16(15)13-22/h1-8H,9-14H2,(H,21,23)/p+1