[2-(methylcarbamoyloxy)-3-octadecoxy-propyl] 2-pyridin-1-ium-1-ylethyl carbonate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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