disodium [2-(octanoylamino)-2-pyridin-3-yl-ethyl] phosphate

Systemtic Name: disodium [2-(octanoylamino)-2-pyridin-3-yl-ethyl] phosphate Openeye Name: disodium [2-(octanoylamino)-2-(3-pyridyl)ethyl] phosphate CAS Name: disodium [2-(1-oxooctylamino)-2-(3-pyridinyl)ethyl] phosphate IUPAC Name: disodium [2-(octanoylamino)-2-pyridin-3-ylethyl] phosphate Traditional Name: disodium [2-(caprylylamino)-2-(3-pyridyl)ethyl] phosphate Formula: C15H23N2Na2O5P MolecularWeight: 388.306821

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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