[3-(4-ethanoylsulfanylbutan-2-yl)-1,1-dimethyl-2-phosphono-piperidin-1-ium-2-yl]phosphonic acid chloride

Systemtic Name: [3-(4-ethanoylsulfanylbutan-2-yl)-1,1-dimethyl-2-phosphono-piperidin-1-ium-2-yl]phosphonic acid chloride Openeye Name: [3-(3-acetylsulfanyl-1-methyl-propyl)-1,1-dimethyl-2-phosphono-piperidin-1-ium-2-yl]phosphonic acid chloride CAS Name: [3-[4-(acetylthio)butan-2-yl]-1,1-dimethyl-2-phosphono-2-piperidin-1-iumyl]phosphonic acid chloride IUPAC Name: [3-(4-acetylsulfanylbutan-2-yl)-1,1-dimethyl-2-phosphonopiperidin-1-ium-2-yl]phosphonic acid chloride Traditional Name: [3-[3-(acetylthio)-1-methyl-propyl]-1,1-dimethyl-2-phosphono-piperidin-1-ium-2-yl]phosphonic acid chloride Formula: C13H28ClNO7P2S MolecularWeight: 439.829442

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCSC(=O)C)C1CCC[N+](C1(P(=O)(O)O)P(=O)(O)O)(C)C.[Cl-]

Isomeric SMILES

CC(CCSC(=O)C)C1CCC[N+](C1(P(=O)(O)O)P(=O)(O)O)(C)C.[Cl-]

InChI

InChI=1S/C13H27NO7P2S.ClH/c1-10(7-9-24-11(2)15)12-6-5-8-14(3,4)13(12,22(16,17)18)23(19,20)21;/h10,12H,5-9H2,1-4H3,(H3-,16,17,18,19,20,21);1H