[3-(1,1-dimethylpiperidin-1-ium-4-yl)-1-oxidanyl-1-phosphono-propyl]phosphonic acid

Systemtic Name: [3-(1,1-dimethylpiperidin-1-ium-4-yl)-1-oxidanyl-1-phosphono-propyl]phosphonic acid Openeye Name: [3-(1,1-dimethylpiperidin-1-ium-4-yl)-1-hydroxy-1-phosphono-propyl]phosphonic acid CAS Name: [3-(1,1-dimethyl-4-piperidin-1-iumyl)-1-hydroxy-1-phosphonopropyl]phosphonic acid IUPAC Name: [3-(1,1-dimethylpiperidin-1-ium-4-yl)-1-hydroxy-1-phosphonopropyl]phosphonic acid Traditional Name: [3-(1,1-dimethylpiperidin-1-ium-4-yl)-1-hydroxy-1-phosphono-propyl]phosphonic acid Formula: C10H24NO7P2+ MolecularWeight: 332.247582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H23NO7P2/c1-11(2)7-4-9(5-8-11)3-6-10(12,19(13,14)15)20(16,17)18/h9,12H,3-8H2,1-2H3,(H3-,13,14,15,16,17,18)/p+1