[2-(methoxycarbonylamino)-3-octadecoxy-propyl] 3-pyridin-1-ium-1-ylpropyl carbonate chloride

Systemtic Name: [2-(methoxycarbonylamino)-3-octadecoxy-propyl] 3-pyridin-1-ium-1-ylpropyl carbonate chloride Openeye Name: [2-(methoxycarbonylamino)-3-octadecoxy-propyl] 3-pyridin-1-ium-1-ylpropyl carbonate chloride CAS Name: carbonic acid [2-(methoxycarbonylamino)-3-octadecoxypropyl] 3-(1-pyridin-1-iumyl)propyl ester chloride IUPAC Name: [2-(methoxycarbonylamino)-3-octadecoxypropyl] 3-pyridin-1-ium-1-ylpropyl carbonate chloride Traditional Name: carbonic acid [2-(carbomethoxyamino)-3-stearyloxy-propyl] 3-pyridin-1-ium-1-ylpropyl ester chloride Formula: C32H57ClN2O6 MolecularWeight: 601.25778

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(COC(=O)OCCC[N+]1=CC=CC=C1)NC(=O)OC.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(COC(=O)OCCC[N+]1=CC=CC=C1)NC(=O)OC.[Cl-]

InChI

InChI=1S/C32H56N2O6.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26-38-28-30(33-31(35)37-2)29-40-32(36)39-27-22-25-34-23-19-18-20-24-34;/h18-20,23-24,30H,3-17,21-22,25-29H2,1-2H3;1H