[2-[methanoyl(2-pyridin-1-ium-1-ylethyl)amino]oxy-3-octadecoxy-propyl] methyl carbonate

Systemtic Name: [2-[methanoyl(2-pyridin-1-ium-1-ylethyl)amino]oxy-3-octadecoxy-propyl] methyl carbonate Openeye Name: [2-[formyl(2-pyridin-1-ium-1-ylethyl)amino]oxy-3-octadecoxy-propyl] methyl carbonate CAS Name: carbonic acid [2-[formyl-[2-(1-pyridin-1-iumyl)ethyl]amino]oxy-3-octadecoxypropyl] methyl ester IUPAC Name: [2-[formyl(2-pyridin-1-ium-1-ylethyl)amino]oxy-3-octadecoxypropyl] methyl carbonate Traditional Name: carbonic acid [2-[formyl(2-pyridin-1-ium-1-ylethyl)amino]oxy-3-stearyloxy-propyl] methyl ester Formula: C31H55N2O6+ MolecularWeight: 551.7782

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(COC(=O)OC)ON(CC[N+]1=CC=CC=C1)C=O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(COC(=O)OC)ON(CC[N+]1=CC=CC=C1)C=O

InChI

InChI=1S/C31H55N2O6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26-37-27-30(28-38-31(35)36-2)39-33(29-34)25-24-32-22-19-18-20-23-32/h18-20,22-23,29-30H,3-17,21,24-28H2,1-2H3/q+1