1,1-dimethyl-2-(2-oxidanyl-2,2-diphosphono-ethyl)piperidin-1-ium-3-carboxylic acid

Systemtic Name: 1,1-dimethyl-2-(2-oxidanyl-2,2-diphosphono-ethyl)piperidin-1-ium-3-carboxylic acid Openeye Name: 2-(2-hydroxy-2,2-diphosphono-ethyl)-1,1-dimethyl-piperidin-1-ium-3-carboxylic acid CAS Name: 2-(2-hydroxy-2,2-diphosphonoethyl)-1,1-dimethyl-3-piperidin-1-iumcarboxylic acid IUPAC Name: 2-(2-hydroxy-2,2-diphosphonoethyl)-1,1-dimethylpiperidin-1-ium-3-carboxylic acid Traditional Name: 2-(2-hydroxy-2,2-diphosphono-ethyl)-1,1-dimethyl-piperidin-1-ium-3-carboxylic acid Formula: C10H22NO9P2+ MolecularWeight: 362.230502

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC(C1CC(O)(P(=O)(O)O)P(=O)(O)O)C(=O)O)C

Isomeric SMILES

C[N+]1(CCCC(C1CC(O)(P(=O)(O)O)P(=O)(O)O)C(=O)O)C

InChI

InChI=1S/C10H21NO9P2/c1-11(2)5-3-4-7(9(12)13)8(11)6-10(14,21(15,16)17)22(18,19)20/h7-8,14H,3-6H2,1-2H3,(H4-,12,13,15,16,17,18,19,20)/p+1