[2-methoxy-2-methyl-3-(2-pyridin-1-ium-1-ylethylcarbamoyloxy)propyl] N-methyl-N-octadecyl-carbamate

Systemtic Name: [2-methoxy-2-methyl-3-(2-pyridin-1-ium-1-ylethylcarbamoyloxy)propyl] N-methyl-N-octadecyl-carbamate Openeye Name: [2-methoxy-2-methyl-3-(2-pyridin-1-ium-1-ylethylcarbamoyloxy)propyl] N-methyl-N-octadecyl-carbamate CAS Name: N-methyl-N-octadecylcarbamic acid [2-methoxy-2-methyl-3-[oxo-[2-(1-pyridin-1-iumyl)ethylamino]methoxy]propyl] ester IUPAC Name: [2-methoxy-2-methyl-3-(2-pyridin-1-ium-1-ylethylcarbamoyloxy)propyl] N-methyl-N-octadecylcarbamate Traditional Name: N-methyl-N-stearyl-carbamic acid [2-methoxy-2-methyl-3-(2-pyridin-1-ium-1-ylethylcarbamoyloxy)propyl] ester Formula: C33H60N3O5+ MolecularWeight: 578.8466

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(C)C(=O)OCC(C)(COC(=O)NCC[N+]1=CC=CC=C1)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(C)C(=O)OCC(C)(COC(=O)NCC[N+]1=CC=CC=C1)OC

InChI

InChI=1S/C33H59N3O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-25-35(3)32(38)41-30-33(2,39-4)29-40-31(37)34-24-28-36-26-22-20-23-27-36/h20,22-23,26-27H,5-19,21,24-25,28-30H2,1-4H3/p+1