[2-[1-methyl-1-(2-sulfanylethyl)piperidin-1-ium-4-yl]-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [2-[1-methyl-1-(2-sulfanylethyl)piperidin-1-ium-4-yl]-1-phosphono-ethyl]phosphonic acid Openeye Name: [2-[1-methyl-1-(2-sulfanylethyl)piperidin-1-ium-4-yl]-1-phosphono-ethyl]phosphonic acid CAS Name: [2-[1-(2-mercaptoethyl)-1-methyl-4-piperidin-1-iumyl]-1-phosphonoethyl]phosphonic acid IUPAC Name: [2-[1-methyl-1-(2-sulfanylethyl)piperidin-1-ium-4-yl]-1-phosphonoethyl]phosphonic acid Traditional Name: [2-[1-(2-mercaptoethyl)-1-methyl-piperidin-1-ium-4-yl]-1-phosphono-ethyl]phosphonic acid Formula: C10H24NO6P2S+ MolecularWeight: 348.313182

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(CC1)CC(P(=O)(O)O)P(=O)(O)O)CCS

Isomeric SMILES

C[N+]1(CCC(CC1)CC(P(=O)(O)O)P(=O)(O)O)CCS

InChI

InChI=1S/C10H23NO6P2S/c1-11(6-7-20)4-2-9(3-5-11)8-10(18(12,13)14)19(15,16)17/h9-10H,2-8H2,1H3,(H4-,12,13,14,15,16,17,20)/p+1