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

Systemtic Name: [2-ethoxy-3-(octadecylcarbamoyloxy)propyl] N-[(1-methylpyridin-1-ium-2-yl)methyl]carbamate chloride Openeye Name: [2-ethoxy-3-(octadecylcarbamoyloxy)propyl] N-[(1-methylpyridin-1-ium-2-yl)methyl]carbamate chloride CAS Name: N-[(1-methyl-2-pyridin-1-iumyl)methyl]carbamic acid [2-ethoxy-3-[(octadecylamino)-oxomethoxy]propyl] ester chloride IUPAC Name: [2-ethoxy-3-(octadecylcarbamoyloxy)propyl] N-[(1-methylpyridin-1-ium-2-yl)methyl]carbamate chloride Traditional Name: N-[(1-methylpyridin-1-ium-2-yl)methyl]carbamic acid [2-ethoxy-3-(stearylcarbamoyloxy)propyl] ester chloride Formula: C32H58ClN3O5 MolecularWeight: 600.27302

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)NCC1=CC=CC=[N+]1C)OCC.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)NCC1=CC=CC=[N+]1C)OCC.[Cl-]

InChI

InChI=1S/C32H57N3O5.ClH/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24-33-31(36)39-27-30(38-5-2)28-40-32(37)34-26-29-23-20-22-25-35(29)3;/h20,22-23,25,30H,4-19,21,24,26-28H2,1-3H3,(H-,33,34,36,37);1H