1,1-dimethyl-6-(2-oxidanyl-2,2-diphosphono-ethyl)piperidin-1-ium-3-carboxylic acid chloride

Systemtic Name: 1,1-dimethyl-6-(2-oxidanyl-2,2-diphosphono-ethyl)piperidin-1-ium-3-carboxylic acid chloride Openeye Name: 6-(2-hydroxy-2,2-diphosphono-ethyl)-1,1-dimethyl-piperidin-1-ium-3-carboxylic acid chloride CAS Name: 6-(2-hydroxy-2,2-diphosphonoethyl)-1,1-dimethyl-3-piperidin-1-iumcarboxylic acid chloride IUPAC Name: 6-(2-hydroxy-2,2-diphosphonoethyl)-1,1-dimethylpiperidin-1-ium-3-carboxylic acid chloride Traditional Name: 6-(2-hydroxy-2,2-diphosphono-ethyl)-1,1-dimethyl-piperidin-1-ium-3-carboxylic acid chloride Formula: C10H22ClNO9P2 MolecularWeight: 397.683502

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CC(CCC1CC(O)(P(=O)(O)O)P(=O)(O)O)C(=O)O)C.[Cl-]

Isomeric SMILES

C[N+]1(CC(CCC1CC(O)(P(=O)(O)O)P(=O)(O)O)C(=O)O)C.[Cl-]

InChI

InChI=1S/C10H21NO9P2.ClH/c1-11(2)6-7(9(12)13)3-4-8(11)5-10(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);1H