[2-methoxy-3-(octadecylcarbamoyloxy)propyl] N-ethanoyl-N-[(1-methylpyridin-1-ium-2-yl)methyl]carbamate chloride

Systemtic Name: [2-methoxy-3-(octadecylcarbamoyloxy)propyl] N-ethanoyl-N-[(1-methylpyridin-1-ium-2-yl)methyl]carbamate chloride Openeye Name: [2-methoxy-3-(octadecylcarbamoyloxy)propyl] N-acetyl-N-[(1-methylpyridin-1-ium-2-yl)methyl]carbamate chloride CAS Name: N-acetyl-N-[(1-methyl-2-pyridin-1-iumyl)methyl]carbamic acid [2-methoxy-3-[(octadecylamino)-oxomethoxy]propyl] ester chloride IUPAC Name: [2-methoxy-3-(octadecylcarbamoyloxy)propyl] N-acetyl-N-[(1-methylpyridin-1-ium-2-yl)methyl]carbamate chloride Traditional Name: N-acetyl-N-[(1-methylpyridin-1-ium-2-yl)methyl]carbamic acid [2-methoxy-3-(stearylcarbamoyloxy)propyl] ester chloride Formula: C33H58ClN3O6 MolecularWeight: 628.28312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(CC1=CC=CC=[N+]1C)C(=O)C)OC.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(CC1=CC=CC=[N+]1C)C(=O)C)OC.[Cl-]

InChI

InChI=1S/C33H57N3O6.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24-34-32(38)41-27-31(40-4)28-42-33(39)36(29(2)37)26-30-23-20-22-25-35(30)3;/h20,22-23,25,31H,5-19,21,24,26-28H2,1-4H3;1H