(2-morpholin-4-ylcarbonyloxy-3-octadecoxy-propyl) 2-pyridin-1-ium-1-ylethyl phosphate

Systemtic Name: (2-morpholin-4-ylcarbonyloxy-3-octadecoxy-propyl) 2-pyridin-1-ium-1-ylethyl phosphate Openeye Name: [2-(morpholine-4-carbonyloxy)-3-octadecoxy-propyl] 2-pyridin-1-ium-1-ylethyl phosphate CAS Name: [2-[4-morpholinyl(oxo)methoxy]-3-octadecoxypropyl] 2-(1-pyridin-1-iumyl)ethyl phosphate IUPAC Name: [2-(morpholine-4-carbonyloxy)-3-octadecoxypropyl] 2-pyridin-1-ium-1-ylethyl phosphate Traditional Name: [2-(morpholine-4-carbonyloxy)-3-stearyloxy-propyl] 2-pyridin-1-ium-1-ylethyl phosphate Formula: C33H59N2O8P MolecularWeight: 642.803921

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+]1=CC=CC=C1)OC(=O)N2CCOCC2

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+]1=CC=CC=C1)OC(=O)N2CCOCC2

InChI

InChI=1S/C33H59N2O8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-26-40-30-32(43-33(36)35-24-27-39-28-25-35)31-42-44(37,38)41-29-23-34-21-18-17-19-22-34/h17-19,21-22,32H,2-16,20,23-31H2,1H3