(2-methoxy-3-tridecoxy-propyl) 2-pyridin-1-ium-1-ylethyl phosphate

Systemtic Name: (2-methoxy-3-tridecoxy-propyl) 2-pyridin-1-ium-1-ylethyl phosphate Openeye Name: (2-methoxy-3-tridecoxy-propyl) 2-pyridin-1-ium-1-ylethyl phosphate CAS Name: (2-methoxy-3-tridecoxypropyl) 2-(1-pyridin-1-iumyl)ethyl phosphate IUPAC Name: (2-methoxy-3-tridecoxypropyl) 2-pyridin-1-ium-1-ylethyl phosphate Traditional Name: (2-methoxy-3-tridecoxy-propyl) 2-pyridin-1-ium-1-ylethyl phosphate Formula: C24H44NO6P MolecularWeight: 473.583021

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+]1=CC=CC=C1)OC

Isomeric SMILES

CCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+]1=CC=CC=C1)OC

InChI

InChI=1S/C24H44NO6P/c1-3-4-5-6-7-8-9-10-11-12-16-20-29-22-24(28-2)23-31-32(26,27)30-21-19-25-17-14-13-15-18-25/h13-15,17-18,24H,3-12,16,19-23H2,1-2H3