2-[(2-bromophenyl)methylsulfanyl]-N-pyridin-1-ium-3-yl-ethanamide

Systemtic Name: 2-[(2-bromophenyl)methylsulfanyl]-N-pyridin-1-ium-3-yl-ethanamide Openeye Name: 2-[(2-bromophenyl)methylsulfanyl]-N-pyridin-1-ium-3-yl-acetamide CAS Name: 2-[(2-bromophenyl)methylthio]-N-(3-pyridin-1-iumyl)acetamide IUPAC Name: 2-[(2-bromophenyl)methylsulfanyl]-N-pyridin-1-ium-3-ylacetamide Traditional Name: 2-[(2-bromobenzyl)thio]-N-pyridin-1-ium-3-yl-acetamide Formula: C14H14BrN2OS+ MolecularWeight: 338.24276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSCC(=O)NC2=C[NH+]=CC=C2)Br

Isomeric SMILES

C1=CC=C(C(=C1)CSCC(=O)NC2=C[NH+]=CC=C2)Br

InChI

InChI=1S/C14H13BrN2OS/c15-13-6-2-1-4-11(13)9-19-10-14(18)17-12-5-3-7-16-8-12/h1-8H,9-10H2,(H,17,18)/p+1