1,3-didecoxypropan-2-yl 2-pyridin-1-ium-1-ylethyl phosphate

Systemtic Name: 1,3-didecoxypropan-2-yl 2-pyridin-1-ium-1-ylethyl phosphate Openeye Name: [2-decoxy-1-(decoxymethyl)ethyl] 2-pyridin-1-ium-1-ylethyl phosphate CAS Name: 1,3-didecoxypropan-2-yl 2-(1-pyridin-1-iumyl)ethyl phosphate IUPAC Name: 1,3-didecoxypropan-2-yl 2-pyridin-1-ium-1-ylethyl phosphate Traditional Name: [2-decoxy-1-(decoxymethyl)ethyl] 2-pyridin-1-ium-1-ylethyl phosphate Formula: C30H56NO6P MolecularWeight: 557.742501

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOCC(COCCCCCCCCCC)OP(=O)([O-])OCC[N+]1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCOCC(COCCCCCCCCCC)OP(=O)([O-])OCC[N+]1=CC=CC=C1

InChI

InChI=1S/C30H56NO6P/c1-3-5-7-9-11-13-15-20-25-34-28-30(29-35-26-21-16-14-12-10-8-6-4-2)37-38(32,33)36-27-24-31-22-18-17-19-23-31/h17-19,22-23,30H,3-16,20-21,24-29H2,1-2H3