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

Systemtic Name: [2-methoxy-3-[oxidanyl-[3-(pyridin-1-ium-1-ylmethyl)phenoxy]phosphanyl]oxy-propyl] N-hexadecylcarbamate Openeye Name: [3-[hydroxy-[3-(pyridin-1-ium-1-ylmethyl)phenoxy]phosphanyl]oxy-2-methoxy-propyl] N-hexadecylcarbamate CAS Name: N-hexadecylcarbamic acid [3-[hydroxy-[3-(1-pyridin-1-iumylmethyl)phenoxy]phosphino]oxy-2-methoxypropyl] ester IUPAC Name: [3-[hydroxy-[3-(pyridin-1-ium-1-ylmethyl)phenoxy]phosphanyl]oxy-2-methoxypropyl] N-hexadecylcarbamate Traditional Name: N-cetylcarbamic acid [3-[hydroxy-[3-(pyridin-1-ium-1-ylmethyl)phenoxy]phosphino]oxy-2-methoxy-propyl] ester Formula: C33H54N2O6P+ MolecularWeight: 605.765421

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H53N2O6P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-23-34-33(36)39-28-32(38-2)29-40-42(37)41-31-22-20-21-30(26-31)27-35-24-18-16-19-25-35/h16,18-22,24-26,32,37H,3-15,17,23,27-29H2,1-2H3/p+1