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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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