3-methyl-1-(octylsulfanylmethyl)pyridin-1-ium

Systemtic Name: 3-methyl-1-(octylsulfanylmethyl)pyridin-1-ium Openeye Name: 3-methyl-1-(octylsulfanylmethyl)pyridin-1-ium CAS Name: 3-methyl-1-[(octylthio)methyl]pyridin-1-ium IUPAC Name: 3-methyl-1-(octylsulfanylmethyl)pyridin-1-ium Traditional Name: 3-methyl-1-[(octylthio)methyl]pyridin-1-ium Formula: C15H26NS+ MolecularWeight: 252.43864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC[N+]1=CC=CC(=C1)C

Isomeric SMILES

CCCCCCCCSC[N+]1=CC=CC(=C1)C

InChI

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