1-[1-(2-sulfanylethyl)pyridin-1-ium-4-yl]-N-(1,3-thiazol-2-yl)methanesulfonamide hydroxide

Systemtic Name: 1-[1-(2-sulfanylethyl)pyridin-1-ium-4-yl]-N-(1,3-thiazol-2-yl)methanesulfonamide hydroxide Openeye Name: 1-[1-(2-sulfanylethyl)pyridin-1-ium-4-yl]-N-thiazol-2-yl-methanesulfonamide hydroxide CAS Name: 1-[1-(2-mercaptoethyl)-4-pyridin-1-iumyl]-N-(2-thiazolyl)methanesulfonamide hydroxide IUPAC Name: 1-[1-(2-sulfanylethyl)pyridin-1-ium-4-yl]-N-(1,3-thiazol-2-yl)methanesulfonamide hydroxide Traditional Name: 1-[1-(2-mercaptoethyl)pyridin-1-ium-4-yl]-N-thiazol-2-yl-methanesulfonamide hydroxide Formula: C11H15N3O3S3 MolecularWeight: 333.4501

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C[N+](=CC=C1CS(=O)(=O)NC2=NC=CS2)CCS.[OH-]

Isomeric SMILES

C1=C[N+](=CC=C1CS(=O)(=O)NC2=NC=CS2)CCS.[OH-]

InChI

InChI=1S/C11H13N3O2S3.H2O/c15-19(16,13-11-12-3-8-18-11)9-10-1-4-14(5-2-10)6-7-17;/h1-5,8H,6-7,9H2,(H-,12,13,17);1H2