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

Systemtic Name: [2-ethoxy-3-[oxidanyl-[2-(pyridin-1-ium-1-ylmethyl)phenoxy]phosphanyl]oxy-propyl] N-hexadecylcarbamate Openeye Name: [2-ethoxy-3-[hydroxy-[2-(pyridin-1-ium-1-ylmethyl)phenoxy]phosphanyl]oxy-propyl] N-hexadecylcarbamate CAS Name: N-hexadecylcarbamic acid [2-ethoxy-3-[hydroxy-[2-(1-pyridin-1-iumylmethyl)phenoxy]phosphino]oxypropyl] ester IUPAC Name: [2-ethoxy-3-[hydroxy-[2-(pyridin-1-ium-1-ylmethyl)phenoxy]phosphanyl]oxypropyl] N-hexadecylcarbamate Traditional Name: N-cetylcarbamic acid [2-ethoxy-3-[hydroxy-[2-(pyridin-1-ium-1-ylmethyl)phenoxy]phosphino]oxy-propyl] ester Formula: C34H56N2O6P+ MolecularWeight: 619.792001

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC(=O)OCC(COP(O)OC1=CC=CC=C1C[N+]2=CC=CC=C2)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCCNC(=O)OCC(COP(O)OC1=CC=CC=C1C[N+]2=CC=CC=C2)OCC

InChI

InChI=1S/C34H55N2O6P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-20-25-35-34(37)40-29-32(39-4-2)30-41-43(38)42-33-24-19-18-23-31(33)28-36-26-21-17-22-27-36/h17-19,21-24,26-27,32,38H,3-16,20,25,28-30H2,1-2H3/p+1