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

Systemtic Name: [2-methoxy-3-(octadecylcarbamoyloxy)propyl] 2-pyridin-1-ium-1-ylethyl carbonate bromide Openeye Name: [2-methoxy-3-(octadecylcarbamoyloxy)propyl] 2-pyridin-1-ium-1-ylethyl carbonate bromide CAS Name: carbonic acid [2-methoxy-3-[(octadecylamino)-oxomethoxy]propyl] 2-(1-pyridin-1-iumyl)ethyl ester bromide IUPAC Name: [2-methoxy-3-(octadecylcarbamoyloxy)propyl] 2-pyridin-1-ium-1-ylethyl carbonate bromide Traditional Name: carbonic acid [2-methoxy-3-(stearylcarbamoyloxy)propyl] 2-pyridin-1-ium-1-ylethyl ester bromide Formula: C31H55BrN2O6 MolecularWeight: 631.6822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H54N2O6.BrH/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;1H