2-(cyclohexylmethylsulfanyl)-1-methyl-pyridin-1-ium bromide

Systemtic Name: 2-(cyclohexylmethylsulfanyl)-1-methyl-pyridin-1-ium bromide Openeye Name: 2-(cyclohexylmethylsulfanyl)-1-methyl-pyridin-1-ium bromide CAS Name: 2-(cyclohexylmethylthio)-1-methylpyridin-1-ium bromide IUPAC Name: 2-(cyclohexylmethylsulfanyl)-1-methylpyridin-1-ium bromide Traditional Name: 2-(cyclohexylmethylthio)-1-methyl-pyridin-1-ium bromide Formula: C13H20BrNS MolecularWeight: 302.2736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1SCC2CCCCC2.[Br-]

Isomeric SMILES

C[N+]1=CC=CC=C1SCC2CCCCC2.[Br-]

InChI

InChI=1S/C13H20NS.BrH/c1-14-10-6-5-9-13(14)15-11-12-7-3-2-4-8-12;/h5-6,9-10,12H,2-4,7-8,11H2,1H3;1H/q+1;/p-1