4-(2-phenylsulfanylethyl)pyridin-1-ium chloride

Systemtic Name: 4-(2-phenylsulfanylethyl)pyridin-1-ium chloride Openeye Name: 4-(2-phenylsulfanylethyl)pyridin-1-ium chloride CAS Name: 4-[2-(phenylthio)ethyl]pyridin-1-ium chloride IUPAC Name: 4-(2-phenylsulfanylethyl)pyridin-1-ium chloride Traditional Name: 4-[2-(phenylthio)ethyl]pyridin-1-ium chloride Formula: C13H14ClNS MolecularWeight: 251.77496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCC2=CC=[NH+]C=C2.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)SCCC2=CC=[NH+]C=C2.[Cl-]

InChI

InChI=1S/C13H13NS.ClH/c1-2-4-13(5-3-1)15-11-8-12-6-9-14-10-7-12;/h1-7,9-10H,8,11H2;1H