[3-octadecoxy-2-(1,2-oxazol-3-yloxy)propyl] 2-pyridin-1-ium-1-ylethyl phosphate

Systemtic Name: [3-octadecoxy-2-(1,2-oxazol-3-yloxy)propyl] 2-pyridin-1-ium-1-ylethyl phosphate Openeye Name: (2-isoxazol-3-yloxy-3-octadecoxy-propyl) 2-pyridin-1-ium-1-ylethyl phosphate CAS Name: [2-(3-isoxazolyloxy)-3-octadecoxypropyl] 2-(1-pyridin-1-iumyl)ethyl phosphate IUPAC Name: [3-octadecoxy-2-(1,2-oxazol-3-yloxy)propyl] 2-pyridin-1-ium-1-ylethyl phosphate Traditional Name: (2-isoxazol-3-yloxy-3-stearyloxy-propyl) 2-pyridin-1-ium-1-ylethyl phosphate Formula: C31H53N2O7P MolecularWeight: 596.735481

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+]1=CC=CC=C1)OC2=NOC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+]1=CC=CC=C1)OC2=NOC=C2

InChI

InChI=1S/C31H53N2O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25-36-28-30(40-31-21-26-37-32-31)29-39-41(34,35)38-27-24-33-22-18-17-19-23-33/h17-19,21-23,26,30H,2-16,20,24-25,27-29H2,1H3