(2-methoxy-3-octadecoxy-propyl) 2-(1,3-thiazol-3-ium-3-yl)ethyl phosphate

Systemtic Name: (2-methoxy-3-octadecoxy-propyl) 2-(1,3-thiazol-3-ium-3-yl)ethyl phosphate Openeye Name: (2-methoxy-3-octadecoxy-propyl) 2-thiazol-3-ium-3-ylethyl phosphate CAS Name: (2-methoxy-3-octadecoxypropyl) 2-(3-thiazol-3-iumyl)ethyl phosphate IUPAC Name: (2-methoxy-3-octadecoxypropyl) 2-(1,3-thiazol-3-ium-3-yl)ethyl phosphate Traditional Name: (2-methoxy-3-stearyloxy-propyl) 2-thiazol-3-ium-3-ylethyl phosphate Formula: C27H52NO6PS MolecularWeight: 549.743641

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+]1=CSC=C1)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+]1=CSC=C1)OC

InChI

InChI=1S/C27H52NO6PS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-32-24-27(31-2)25-34-35(29,30)33-22-19-28-20-23-36-26-28/h20,23,26-27H,3-19,21-22,24-25H2,1-2H3