disodium [2-(octanoylamino)-2-pyridin-2-yl-ethyl] phosphate

Systemtic Name: disodium [2-(octanoylamino)-2-pyridin-2-yl-ethyl] phosphate Openeye Name: disodium [2-(octanoylamino)-2-(2-pyridyl)ethyl] phosphate CAS Name: disodium [2-(1-oxooctylamino)-2-(2-pyridinyl)ethyl] phosphate IUPAC Name: disodium [2-(octanoylamino)-2-pyridin-2-ylethyl] phosphate Traditional Name: disodium [2-(caprylylamino)-2-(2-pyridyl)ethyl] phosphate Formula: C15H23N2Na2O5P MolecularWeight: 388.306821

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(COP(=O)([O-])[O-])C1=CC=CC=N1.[Na+].[Na+]

Isomeric SMILES

CCCCCCCC(=O)NC(COP(=O)([O-])[O-])C1=CC=CC=N1.[Na+].[Na+]

InChI

InChI=1S/C15H25N2O5P.2Na/c1-2-3-4-5-6-10-15(18)17-14(12-22-23(19,20)21)13-9-7-8-11-16-13;;/h7-9,11,14H,2-6,10,12H2,1H3,(H,17,18)(H2,19,20,21);;/q;2*+1/p-2