2-(3-methylpyridin-1-ium-1-yl)ethanesulfonic acid

Systemtic Name: 2-(3-methylpyridin-1-ium-1-yl)ethanesulfonic acid Openeye Name: 2-(3-methylpyridin-1-ium-1-yl)ethanesulfonic acid CAS Name: 2-(3-methyl-1-pyridin-1-iumyl)ethanesulfonic acid IUPAC Name: 2-(3-methylpyridin-1-ium-1-yl)ethanesulfonic acid Traditional Name: 2-(3-methylpyridin-1-ium-1-yl)ethanesulfonic acid Formula: C8H12NO3S+ MolecularWeight: 202.25078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H11NO3S/c1-8-3-2-4-9(7-8)5-6-13(10,11)12/h2-4,7H,5-6H2,1H3/p+1