[(1,1-dimethylpiperidin-1-ium-2-yl)sulfanyl-phosphono-methyl]phosphonic acid

Systemtic Name: [(1,1-dimethylpiperidin-1-ium-2-yl)sulfanyl-phosphono-methyl]phosphonic acid Openeye Name: [(1,1-dimethylpiperidin-1-ium-2-yl)sulfanyl-phosphono-methyl]phosphonic acid CAS Name: [[(1,1-dimethyl-2-piperidin-1-iumyl)thio]-phosphonomethyl]phosphonic acid IUPAC Name: [(1,1-dimethylpiperidin-1-ium-2-yl)sulfanyl-phosphonomethyl]phosphonic acid Traditional Name: [[(1,1-dimethylpiperidin-1-ium-2-yl)thio]-phosphono-methyl]phosphonic acid Formula: C8H20NO6P2S+ MolecularWeight: 320.260022

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1SC(P(=O)(O)O)P(=O)(O)O)C

Isomeric SMILES

C[N+]1(CCCCC1SC(P(=O)(O)O)P(=O)(O)O)C

InChI

InChI=1S/C8H19NO6P2S/c1-9(2)6-4-3-5-7(9)18-8(16(10,11)12)17(13,14)15/h7-8H,3-6H2,1-2H3,(H3-,10,11,12,13,14,15)/p+1