1-methyl-2-(3-phenylpropylsulfanyl)pyridin-1-ium bromide

Systemtic Name: 1-methyl-2-(3-phenylpropylsulfanyl)pyridin-1-ium bromide Openeye Name: 1-methyl-2-(3-phenylpropylsulfanyl)pyridin-1-ium bromide CAS Name: 1-methyl-2-(3-phenylpropylthio)pyridin-1-ium bromide IUPAC Name: 1-methyl-2-(3-phenylpropylsulfanyl)pyridin-1-ium bromide Traditional Name: 1-methyl-2-(3-phenylpropylthio)pyridin-1-ium bromide Formula: C15H18BrNS MolecularWeight: 324.27912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1SCCCC2=CC=CC=C2.[Br-]

Isomeric SMILES

C[N+]1=CC=CC=C1SCCCC2=CC=CC=C2.[Br-]

InChI

InChI=1S/C15H18NS.BrH/c1-16-12-6-5-11-15(16)17-13-7-10-14-8-3-2-4-9-14;/h2-6,8-9,11-12H,7,10,13H2,1H3;1H/q+1;/p-1