[1-octadecoxy-3-[oxidanyl(2-pyridin-1-ium-1-ylethoxy)phosphoryl]oxy-propan-2-yl] morpholine-4-carboxylate

Systemtic Name: [1-octadecoxy-3-[oxidanyl(2-pyridin-1-ium-1-ylethoxy)phosphoryl]oxy-propan-2-yl] morpholine-4-carboxylate Openeye Name: [1-[[hydroxy(2-pyridin-1-ium-1-ylethoxy)phosphoryl]oxymethyl]-2-octadecoxy-ethyl] morpholine-4-carboxylate CAS Name: 4-morpholinecarboxylic acid [1-[hydroxy-[2-(1-pyridin-1-iumyl)ethoxy]phosphoryl]oxy-3-octadecoxypropan-2-yl] ester IUPAC Name: [1-[hydroxy(2-pyridin-1-ium-1-ylethoxy)phosphoryl]oxy-3-octadecoxypropan-2-yl] morpholine-4-carboxylate Traditional Name: morpholine-4-carboxylic acid [1-[[hydroxy(2-pyridin-1-ium-1-ylethoxy)phosphoryl]oxymethyl]-2-stearyloxy-ethyl] ester Formula: C33H60N2O8P+ MolecularWeight: 643.811861

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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/p+1