[1-phosphono-2-(2,4,5,6-tetraethyl-1-heptyl-pyridin-1-ium-3-yl)ethyl]phosphonic acid iodide

Systemtic Name: [1-phosphono-2-(2,4,5,6-tetraethyl-1-heptyl-pyridin-1-ium-3-yl)ethyl]phosphonic acid iodide Openeye Name: [1-phosphono-2-(2,4,5,6-tetraethyl-1-heptyl-pyridin-1-ium-3-yl)ethyl]phosphonic acid iodide CAS Name: [1-phosphono-2-(2,4,5,6-tetraethyl-1-heptyl-3-pyridin-1-iumyl)ethyl]phosphonic acid iodide IUPAC Name: [1-phosphono-2-(2,4,5,6-tetraethyl-1-heptylpyridin-1-ium-3-yl)ethyl]phosphonic acid iodide Traditional Name: [1-phosphono-2-(2,4,5,6-tetraethyl-1-heptyl-pyridin-1-ium-3-yl)ethyl]phosphonic acid iodide Formula: C22H42INO6P2 MolecularWeight: 605.423972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC[N+]1=C(C(=C(C(=C1CC)CC(P(=O)(O)O)P(=O)(O)O)CC)CC)CC.[I-]

Isomeric SMILES

CCCCCCC[N+]1=C(C(=C(C(=C1CC)CC(P(=O)(O)O)P(=O)(O)O)CC)CC)CC.[I-]

InChI

InChI=1S/C22H41NO6P2.HI/c1-6-11-12-13-14-15-23-20(9-4)18(8-3)17(7-2)19(21(23)10-5)16-22(30(24,25)26)31(27,28)29;/h22H,6-16H2,1-5H3,(H3-,24,25,26,27,28,29);1H