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

Systemtic Name: [2-methoxy-3-[oxidanyl-[2-(1,3-thiazol-3-ium-3-ylmethyl)phenoxy]phosphanyl]oxy-propyl] N-hexadecylcarbamate Openeye Name: [3-[hydroxy-[2-(thiazol-3-ium-3-ylmethyl)phenoxy]phosphanyl]oxy-2-methoxy-propyl] N-hexadecylcarbamate CAS Name: N-hexadecylcarbamic acid [3-[hydroxy-[2-(3-thiazol-3-iumylmethyl)phenoxy]phosphino]oxy-2-methoxypropyl] ester IUPAC Name: [3-[hydroxy-[2-(1,3-thiazol-3-ium-3-ylmethyl)phenoxy]phosphanyl]oxy-2-methoxypropyl] N-hexadecylcarbamate Traditional Name: N-cetylcarbamic acid [3-[hydroxy-[2-(thiazol-3-ium-3-ylmethyl)phenoxy]phosphino]oxy-2-methoxy-propyl] ester Formula: C31H52N2O6PS+ MolecularWeight: 611.793141

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H51N2O6PS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-32-31(34)37-25-29(36-2)26-38-40(35)39-30-20-17-16-19-28(30)24-33-22-23-41-27-33/h16-17,19-20,22-23,27,29,35H,3-15,18,21,24-26H2,1-2H3/p+1