[2-ethoxy-3-[oxidanyl-[3-(pyridin-1-ium-1-ylmethyl)phenoxy]phosphanyl]oxy-propyl] N-octadecylcarbamate

Systemtic Name: [2-ethoxy-3-[oxidanyl-[3-(pyridin-1-ium-1-ylmethyl)phenoxy]phosphanyl]oxy-propyl] N-octadecylcarbamate Openeye Name: [2-ethoxy-3-[hydroxy-[3-(pyridin-1-ium-1-ylmethyl)phenoxy]phosphanyl]oxy-propyl] N-octadecylcarbamate CAS Name: N-octadecylcarbamic acid [2-ethoxy-3-[hydroxy-[3-(1-pyridin-1-iumylmethyl)phenoxy]phosphino]oxypropyl] ester IUPAC Name: [2-ethoxy-3-[hydroxy-[3-(pyridin-1-ium-1-ylmethyl)phenoxy]phosphanyl]oxypropyl] N-octadecylcarbamate Traditional Name: N-stearylcarbamic acid [2-ethoxy-3-[hydroxy-[3-(pyridin-1-ium-1-ylmethyl)phenoxy]phosphino]oxy-propyl] ester Formula: C36H60N2O6P+ MolecularWeight: 647.845161

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OCC(COP(O)OC1=CC=CC(=C1)C[N+]2=CC=CC=C2)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OCC(COP(O)OC1=CC=CC(=C1)C[N+]2=CC=CC=C2)OCC

InChI

InChI=1S/C36H59N2O6P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-26-37-36(39)42-31-35(41-4-2)32-43-45(40)44-34-25-23-24-33(29-34)30-38-27-21-19-22-28-38/h19,21-25,27-29,35,40H,3-18,20,26,30-32H2,1-2H3/p+1