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

Systemtic Name: [1-phosphono-2-(2,4,5,6-tetraethyl-1-heptyl-pyridin-1-ium-3-yl)ethyl]phosphonic acid Openeye Name: [1-phosphono-2-(2,4,5,6-tetraethyl-1-heptyl-pyridin-1-ium-3-yl)ethyl]phosphonic acid CAS Name: [1-phosphono-2-(2,4,5,6-tetraethyl-1-heptyl-3-pyridin-1-iumyl)ethyl]phosphonic acid IUPAC Name: [1-phosphono-2-(2,4,5,6-tetraethyl-1-heptylpyridin-1-ium-3-yl)ethyl]phosphonic acid Traditional Name: [1-phosphono-2-(2,4,5,6-tetraethyl-1-heptyl-pyridin-1-ium-3-yl)ethyl]phosphonic acid Formula: C22H42NO6P2+ MolecularWeight: 478.519502

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H41NO6P2/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)/p+1