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

Systemtic Name: [3-chloranyl-1-(2-sulfanylethyl)pyridin-1-ium-4-yl]methanesulfonic acid Openeye Name: [3-chloro-1-(2-sulfanylethyl)pyridin-1-ium-4-yl]methanesulfonic acid CAS Name: [3-chloro-1-(2-mercaptoethyl)-4-pyridin-1-iumyl]methanesulfonic acid IUPAC Name: [3-chloro-1-(2-sulfanylethyl)pyridin-1-ium-4-yl]methanesulfonic acid Traditional Name: [3-chloro-1-(2-mercaptoethyl)pyridin-1-ium-4-yl]methanesulfonic acid Formula: C8H11ClNO3S2+ MolecularWeight: 268.76084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H10ClNO3S2/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)/p+1