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

Systemtic Name: [2-ethoxy-3-[oxidanyl-[3-(1,3-thiazol-3-ium-3-ylmethyl)phenoxy]phosphanyl]oxy-propyl] N-hexadecylcarbamate Openeye Name: [2-ethoxy-3-[hydroxy-[3-(thiazol-3-ium-3-ylmethyl)phenoxy]phosphanyl]oxy-propyl] N-hexadecylcarbamate CAS Name: N-hexadecylcarbamic acid [2-ethoxy-3-[hydroxy-[3-(3-thiazol-3-iumylmethyl)phenoxy]phosphino]oxypropyl] ester IUPAC Name: [2-ethoxy-3-[hydroxy-[3-(1,3-thiazol-3-ium-3-ylmethyl)phenoxy]phosphanyl]oxypropyl] N-hexadecylcarbamate Traditional Name: N-cetylcarbamic acid [2-ethoxy-3-[hydroxy-[3-(thiazol-3-ium-3-ylmethyl)phenoxy]phosphino]oxy-propyl] ester Formula: C32H54N2O6PS+ MolecularWeight: 625.819721

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H53N2O6PS/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-21-33-32(35)38-26-31(37-4-2)27-39-41(36)40-30-20-18-19-29(24-30)25-34-22-23-42-28-34/h18-20,22-24,28,31,36H,3-17,21,25-27H2,1-2H3/p+1