[2-methoxy-3-(octadecylcarbamoyloxy)propyl] 2-pyridin-1-ium-1-ylethyl carbonate

Systemtic Name: [2-methoxy-3-(octadecylcarbamoyloxy)propyl] 2-pyridin-1-ium-1-ylethyl carbonate Openeye Name: [2-methoxy-3-(octadecylcarbamoyloxy)propyl] 2-pyridin-1-ium-1-ylethyl carbonate CAS Name: carbonic acid [2-methoxy-3-[(octadecylamino)-oxomethoxy]propyl] 2-(1-pyridin-1-iumyl)ethyl ester IUPAC Name: [2-methoxy-3-(octadecylcarbamoyloxy)propyl] 2-pyridin-1-ium-1-ylethyl carbonate Traditional Name: carbonic acid [2-methoxy-3-(stearylcarbamoyloxy)propyl] 2-pyridin-1-ium-1-ylethyl ester Formula: C31H55N2O6+ MolecularWeight: 551.7782

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)OCC[N+]1=CC=CC=C1)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)OCC[N+]1=CC=CC=C1)OC

InChI

InChI=1S/C31H54N2O6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-32-30(34)38-27-29(36-2)28-39-31(35)37-26-25-33-23-20-18-21-24-33/h18,20-21,23-24,29H,3-17,19,22,25-28H2,1-2H3/p+1