2-(2,6-dimethylpyridin-1-ium-1-yl)ethanethiol; methanesulfonate

Systemtic Name: 2-(2,6-dimethylpyridin-1-ium-1-yl)ethanethiol; methanesulfonate Openeye Name: 2-(2,6-dimethylpyridin-1-ium-1-yl)ethanethiol; methanesulfonate CAS Name: 2-(2,6-dimethyl-1-pyridin-1-iumyl)ethanethiol; methanesulfonate IUPAC Name: 2-(2,6-dimethylpyridin-1-ium-1-yl)ethanethiol; methanesulfonate Traditional Name: 2-(2,6-dimethylpyridin-1-ium-1-yl)ethanethiol mesylate Formula: C10H17NO3S2 MolecularWeight: 263.37688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=CC=C1)C)CCS.CS(=O)(=O)[O-]

Isomeric SMILES

CC1=[N+](C(=CC=C1)C)CCS.CS(=O)(=O)[O-]

InChI

InChI=1S/C9H13NS.CH4O3S/c1-8-4-3-5-9(2)10(8)6-7-11;1-5(2,3)4/h3-5H,6-7H2,1-2H3;1H3,(H,2,3,4)