[3-chloranyl-1-(2-sulfanylethyl)pyridin-1-ium-4-yl]methanesulfonic acid hydroxide

Systemtic Name: [3-chloranyl-1-(2-sulfanylethyl)pyridin-1-ium-4-yl]methanesulfonic acid hydroxide Openeye Name: [3-chloro-1-(2-sulfanylethyl)pyridin-1-ium-4-yl]methanesulfonic acid hydroxide CAS Name: [3-chloro-1-(2-mercaptoethyl)-4-pyridin-1-iumyl]methanesulfonic acid hydroxide IUPAC Name: [3-chloro-1-(2-sulfanylethyl)pyridin-1-ium-4-yl]methanesulfonic acid hydroxide Traditional Name: [3-chloro-1-(2-mercaptoethyl)pyridin-1-ium-4-yl]methanesulfonic acid hydroxide Formula: C8H12ClNO4S2 MolecularWeight: 285.76818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H10ClNO3S2.H2O/c9-8-5-10(3-4-14)2-1-7(8)6-15(11,12)13;/h1-2,5H,3-4,6H2,(H-,11,12,13,14);1H2