[1-[methanoyl(2-pyridin-1-ium-1-ylethyl)amino]oxy-3-octadecoxy-propan-2-yl] methyl carbonate chloride

Systemtic Name: [1-[methanoyl(2-pyridin-1-ium-1-ylethyl)amino]oxy-3-octadecoxy-propan-2-yl] methyl carbonate chloride Openeye Name: [1-[[formyl(2-pyridin-1-ium-1-ylethyl)amino]oxymethyl]-2-octadecoxy-ethyl] methyl carbonate chloride CAS Name: carbonic acid [1-[formyl-[2-(1-pyridin-1-iumyl)ethyl]amino]oxy-3-octadecoxypropan-2-yl] methyl ester chloride IUPAC Name: [1-[formyl(2-pyridin-1-ium-1-ylethyl)amino]oxy-3-octadecoxypropan-2-yl] methyl carbonate chloride Traditional Name: carbonic acid [1-[[formyl(2-pyridin-1-ium-1-ylethyl)amino]oxymethyl]-2-stearyloxy-ethyl] methyl ester chloride Formula: C31H55ClN2O6 MolecularWeight: 587.2312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(CON(CC[N+]1=CC=CC=C1)C=O)OC(=O)OC.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(CON(CC[N+]1=CC=CC=C1)C=O)OC(=O)OC.[Cl-]

InChI

InChI=1S/C31H55N2O6.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26-37-27-30(39-31(35)36-2)28-38-33(29-34)25-24-32-22-19-18-20-23-32;/h18-20,22-23,29-30H,3-17,21,24-28H2,1-2H3;1H/q+1;/p-1