[2-methoxy-3-(2-pyridin-1-ium-1-ylethylcarbamoyloxy)propyl] N-octadecylcarbamate chloride

Systemtic Name: [2-methoxy-3-(2-pyridin-1-ium-1-ylethylcarbamoyloxy)propyl] N-octadecylcarbamate chloride Openeye Name: [2-methoxy-3-(2-pyridin-1-ium-1-ylethylcarbamoyloxy)propyl] N-octadecylcarbamate chloride CAS Name: N-octadecylcarbamic acid [2-methoxy-3-[oxo-[2-(1-pyridin-1-iumyl)ethylamino]methoxy]propyl] ester chloride IUPAC Name: [2-methoxy-3-(2-pyridin-1-ium-1-ylethylcarbamoyloxy)propyl] N-octadecylcarbamate chloride Traditional Name: N-(2-pyridin-1-ium-1-ylethyl)carbamic acid [2-methoxy-3-(stearylcarbamoyloxy)propyl] ester chloride Formula: C31H56ClN3O5 MolecularWeight: 586.24644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H55N3O5.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-32-30(35)38-27-29(37-2)28-39-31(36)33-23-26-34-24-20-18-21-25-34;/h18,20-21,24-25,29H,3-17,19,22-23,26-28H2,1-2H3,(H-,32,33,35,36);1H