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

Systemtic Name: [1-phosphono-2-(2,4,5,6-tetraethyl-1-methyl-pyridin-1-ium-3-yl)ethyl]phosphonic acid iodide Openeye Name: [1-phosphono-2-(2,4,5,6-tetraethyl-1-methyl-pyridin-1-ium-3-yl)ethyl]phosphonic acid iodide CAS Name: [1-phosphono-2-(2,4,5,6-tetraethyl-1-methyl-3-pyridin-1-iumyl)ethyl]phosphonic acid iodide IUPAC Name: [1-phosphono-2-(2,4,5,6-tetraethyl-1-methylpyridin-1-ium-3-yl)ethyl]phosphonic acid iodide Traditional Name: [1-phosphono-2-(2,4,5,6-tetraethyl-1-methyl-pyridin-1-ium-3-yl)ethyl]phosphonic acid iodide Formula: C16H30INO6P2 MolecularWeight: 521.264492

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C([N+](=C1CC)C)CC)CC(P(=O)(O)O)P(=O)(O)O)CC.[I-]

Isomeric SMILES

CCC1=C(C(=C([N+](=C1CC)C)CC)CC(P(=O)(O)O)P(=O)(O)O)CC.[I-]

InChI

InChI=1S/C16H29NO6P2.HI/c1-6-11-12(7-2)14(8-3)17(5)15(9-4)13(11)10-16(24(18,19)20)25(21,22)23;/h16H,6-10H2,1-5H3,(H3-,18,19,20,21,22,23);1H