3-[2,2-bis(diethoxyphosphoryl)ethyl]-1-heptyl-pyridin-1-ium iodide

Systemtic Name: 3-[2,2-bis(diethoxyphosphoryl)ethyl]-1-heptyl-pyridin-1-ium iodide Openeye Name: 3-[2,2-bis(diethoxyphosphoryl)ethyl]-1-heptyl-pyridin-1-ium iodide CAS Name: 3-[2,2-bis(diethoxyphosphoryl)ethyl]-1-heptylpyridin-1-ium iodide IUPAC Name: 3-[2,2-bis(diethoxyphosphoryl)ethyl]-1-heptylpyridin-1-ium iodide Traditional Name: 3-[2,2-bis(diethoxyphosphoryl)ethyl]-1-heptyl-pyridin-1-ium iodide Formula: C22H42INO6P2 MolecularWeight: 605.423972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC[N+]1=CC=CC(=C1)CC(P(=O)(OCC)OCC)P(=O)(OCC)OCC.[I-]

Isomeric SMILES

CCCCCCC[N+]1=CC=CC(=C1)CC(P(=O)(OCC)OCC)P(=O)(OCC)OCC.[I-]

InChI

InChI=1S/C22H42NO6P2.HI/c1-6-11-12-13-14-17-23-18-15-16-21(20-23)19-22(30(24,26-7-2)27-8-3)31(25,28-9-4)29-10-5;/h15-16,18,20,22H,6-14,17,19H2,1-5H3;1H/q+1;/p-1