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

Systemtic Name: [3-(2-hydroxyethyl)-1,1-dimethyl-2-phosphono-piperidin-1-ium-2-yl]phosphonic acid Openeye Name: [3-(2-hydroxyethyl)-1,1-dimethyl-2-phosphono-piperidin-1-ium-2-yl]phosphonic acid CAS Name: [3-(2-hydroxyethyl)-1,1-dimethyl-2-phosphono-2-piperidin-1-iumyl]phosphonic acid IUPAC Name: [3-(2-hydroxyethyl)-1,1-dimethyl-2-phosphonopiperidin-1-ium-2-yl]phosphonic acid Traditional Name: [3-(2-hydroxyethyl)-1,1-dimethyl-2-phosphono-piperidin-1-ium-2-yl]phosphonic acid Formula: C9H22NO7P2+ MolecularWeight: 318.221002

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC(C1(P(=O)(O)O)P(=O)(O)O)CCO)C

Isomeric SMILES

C[N+]1(CCCC(C1(P(=O)(O)O)P(=O)(O)O)CCO)C

InChI

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