1-ethyl-3-heptan-3-yl-2-methylsulfanyl-pyridin-1-ium bromide

Systemtic Name: 1-ethyl-3-heptan-3-yl-2-methylsulfanyl-pyridin-1-ium bromide Openeye Name: 1-ethyl-3-(1-ethylpentyl)-2-methylsulfanyl-pyridin-1-ium bromide CAS Name: 1-ethyl-3-heptan-3-yl-2-(methylthio)pyridin-1-ium bromide IUPAC Name: 1-ethyl-3-heptan-3-yl-2-methylsulfanylpyridin-1-ium bromide Traditional Name: 1-ethyl-3-(1-ethylpentyl)-2-(methylthio)pyridin-1-ium bromide Formula: C15H26BrNS MolecularWeight: 332.34264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C1=C([N+](=CC=C1)CC)SC.[Br-]

Isomeric SMILES

CCCCC(CC)C1=C([N+](=CC=C1)CC)SC.[Br-]

InChI

InChI=1S/C15H26NS.BrH/c1-5-8-10-13(6-2)14-11-9-12-16(7-3)15(14)17-4;/h9,11-13H,5-8,10H2,1-4H3;1H/q+1;/p-1