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

Systemtic Name: [3-chloranyl-1-(2-ethanoylsulfanylethyl)pyridin-1-ium-4-yl]methanesulfonic acid Openeye Name: [1-(2-acetylsulfanylethyl)-3-chloro-pyridin-1-ium-4-yl]methanesulfonic acid CAS Name: [1-[2-(acetylthio)ethyl]-3-chloro-4-pyridin-1-iumyl]methanesulfonic acid IUPAC Name: [1-(2-acetylsulfanylethyl)-3-chloropyridin-1-ium-4-yl]methanesulfonic acid Traditional Name: [1-[2-(acetylthio)ethyl]-3-chloro-pyridin-1-ium-4-yl]methanesulfonic acid Formula: C10H13ClNO4S2+ MolecularWeight: 310.79752

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC[N+]1=CC(=C(C=C1)CS(=O)(=O)O)Cl

Isomeric SMILES

CC(=O)SCC[N+]1=CC(=C(C=C1)CS(=O)(=O)O)Cl

InChI

InChI=1S/C10H12ClNO4S2/c1-8(13)17-5-4-12-3-2-9(10(11)6-12)7-18(14,15)16/h2-3,6H,4-5,7H2,1H3/p+1