[3-(1-hexadecylpyridin-1-ium-3-yl)-1-phosphono-propyl]phosphonic acid iodide

Systemtic Name: [3-(1-hexadecylpyridin-1-ium-3-yl)-1-phosphono-propyl]phosphonic acid iodide Openeye Name: [3-(1-hexadecylpyridin-1-ium-3-yl)-1-phosphono-propyl]phosphonic acid iodide CAS Name: [3-(1-hexadecyl-3-pyridin-1-iumyl)-1-phosphonopropyl]phosphonic acid iodide IUPAC Name: [3-(1-hexadecylpyridin-1-ium-3-yl)-1-phosphonopropyl]phosphonic acid iodide Traditional Name: [3-(1-cetylpyridin-1-ium-3-yl)-1-phosphono-propyl]phosphonic acid iodide Formula: C24H46INO6P2 MolecularWeight: 633.477132

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+]1=CC=CC(=C1)CCC(P(=O)(O)O)P(=O)(O)O.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+]1=CC=CC(=C1)CCC(P(=O)(O)O)P(=O)(O)O.[I-]

InChI

InChI=1S/C24H45NO6P2.HI/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-25-21-16-17-23(22-25)18-19-24(32(26,27)28)33(29,30)31;/h16-17,21-22,24H,2-15,18-20H2,1H3,(H3-,26,27,28,29,30,31);1H