methyl N-[1-octadecoxy-3-(2-pyridin-1-ium-1-ylethylcarbamoyloxy)propan-2-yl]carbamate chloride

Systemtic Name: methyl N-[1-octadecoxy-3-(2-pyridin-1-ium-1-ylethylcarbamoyloxy)propan-2-yl]carbamate chloride Openeye Name: methyl N-[1-(octadecoxymethyl)-2-(2-pyridin-1-ium-1-ylethylcarbamoyloxy)ethyl]carbamate chloride CAS Name: N-[1-octadecoxy-3-[oxo-[2-(1-pyridin-1-iumyl)ethylamino]methoxy]propan-2-yl]carbamic acid methyl ester chloride IUPAC Name: methyl N-[1-octadecoxy-3-(2-pyridin-1-ium-1-ylethylcarbamoyloxy)propan-2-yl]carbamate chloride Traditional Name: N-(2-pyridin-1-ium-1-ylethyl)carbamic acid [2-(carbomethoxyamino)-3-stearyloxy-propyl] ester chloride Formula: C31H56ClN3O5 MolecularWeight: 586.24644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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