[3-octadecoxy-1-(2-pyridin-1-ium-1-ylethoxycarbonyloxy)propyl] ethanoate bromide

Systemtic Name: [3-octadecoxy-1-(2-pyridin-1-ium-1-ylethoxycarbonyloxy)propyl] ethanoate bromide Openeye Name: [3-octadecoxy-1-(2-pyridin-1-ium-1-ylethoxycarbonyloxy)propyl] acetate bromide CAS Name: acetic acid [3-octadecoxy-1-[oxo-[2-(1-pyridin-1-iumyl)ethoxy]methoxy]propyl] ester bromide IUPAC Name: [3-octadecoxy-1-(2-pyridin-1-ium-1-ylethoxycarbonyloxy)propyl] acetate bromide Traditional Name: acetic acid [1-(2-pyridin-1-ium-1-ylethoxycarbonyloxy)-3-stearyloxy-propyl] ester bromide Formula: C31H54BrNO6 MolecularWeight: 616.66756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H54NO6.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26-35-27-22-30(37-29(2)33)38-31(34)36-28-25-32-23-19-18-20-24-32;/h18-20,23-24,30H,3-17,21-22,25-28H2,1-2H3;1H/q+1;/p-1