[3-[oxidanyl-[3-(1,3-thiazol-3-ium-3-ylmethyl)phenoxy]phosphanyl]oxy-2-propan-2-yloxy-propyl] N-octadecylcarbamate

Systemtic Name: [3-[oxidanyl-[3-(1,3-thiazol-3-ium-3-ylmethyl)phenoxy]phosphanyl]oxy-2-propan-2-yloxy-propyl] N-octadecylcarbamate Openeye Name: [3-[hydroxy-[3-(thiazol-3-ium-3-ylmethyl)phenoxy]phosphanyl]oxy-2-isopropoxy-propyl] N-octadecylcarbamate CAS Name: N-octadecylcarbamic acid [3-[hydroxy-[3-(3-thiazol-3-iumylmethyl)phenoxy]phosphino]oxy-2-propan-2-yloxypropyl] ester IUPAC Name: [3-[hydroxy-[3-(1,3-thiazol-3-ium-3-ylmethyl)phenoxy]phosphanyl]oxy-2-propan-2-yloxypropyl] N-octadecylcarbamate Traditional Name: N-stearylcarbamic acid [3-[hydroxy-[3-(thiazol-3-ium-3-ylmethyl)phenoxy]phosphino]oxy-2-isopropoxy-propyl] ester Formula: C35H60N2O6PS+ MolecularWeight: 667.899461

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H59N2O6PS/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-36-35(38)40-28-34(42-31(2)3)29-41-44(39)43-33-22-20-21-32(26-33)27-37-24-25-45-30-37/h20-22,24-26,30-31,34,39H,4-19,23,27-29H2,1-3H3/p+1