[2-(1,1-dimethylpiperidin-1-ium-2-yl)-1-oxidanyl-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [2-(1,1-dimethylpiperidin-1-ium-2-yl)-1-oxidanyl-1-phosphono-ethyl]phosphonic acid Openeye Name: [2-(1,1-dimethylpiperidin-1-ium-2-yl)-1-hydroxy-1-phosphono-ethyl]phosphonic acid CAS Name: [2-(1,1-dimethyl-2-piperidin-1-iumyl)-1-hydroxy-1-phosphonoethyl]phosphonic acid IUPAC Name: [2-(1,1-dimethylpiperidin-1-ium-2-yl)-1-hydroxy-1-phosphonoethyl]phosphonic acid Traditional Name: [2-(1,1-dimethylpiperidin-1-ium-2-yl)-1-hydroxy-1-phosphono-ethyl]phosphonic acid Formula: C9H22NO7P2+ MolecularWeight: 318.221002

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1CC(O)(P(=O)(O)O)P(=O)(O)O)C

Isomeric SMILES

C[N+]1(CCCCC1CC(O)(P(=O)(O)O)P(=O)(O)O)C

InChI

InChI=1S/C9H21NO7P2/c1-10(2)6-4-3-5-8(10)7-9(11,18(12,13)14)19(15,16)17/h8,11H,3-7H2,1-2H3,(H3-,12,13,14,15,16,17)/p+1