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

Systemtic Name: 2-(1-methylpyridin-1-ium-3-yl)-1-phosphono-ethanesulfonic acid chloride Openeye Name: 2-(1-methylpyridin-1-ium-3-yl)-1-phosphono-ethanesulfonic acid chloride CAS Name: 2-(1-methyl-3-pyridin-1-iumyl)-1-phosphonoethanesulfonic acid chloride IUPAC Name: 2-(1-methylpyridin-1-ium-3-yl)-1-phosphonoethanesulfonic acid chloride Traditional Name: 2-(1-methylpyridin-1-ium-3-yl)-1-phosphono-ethanesulfonic acid chloride Formula: C8H13ClNO6PS MolecularWeight: 317.683681

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)CC(P(=O)(O)O)S(=O)(=O)O.[Cl-]

Isomeric SMILES

C[N+]1=CC=CC(=C1)CC(P(=O)(O)O)S(=O)(=O)O.[Cl-]

InChI

InChI=1S/C8H12NO6PS.ClH/c1-9-4-2-3-7(6-9)5-8(16(10,11)12)17(13,14)15;/h2-4,6,8H,5H2,1H3,(H2-,10,11,12,13,14,15);1H