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

Systemtic Name: [3-[oxidanyl-[3-(1,3-thiazol-3-ium-3-ylmethyl)phenoxy]phosphanyl]oxy-2-propan-2-yloxy-propyl] N-hexadecylcarbamate Openeye Name: [3-[hydroxy-[3-(thiazol-3-ium-3-ylmethyl)phenoxy]phosphanyl]oxy-2-isopropoxy-propyl] N-hexadecylcarbamate CAS Name: N-hexadecylcarbamic 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-hexadecylcarbamate Traditional Name: N-cetylcarbamic acid [3-[hydroxy-[3-(thiazol-3-ium-3-ylmethyl)phenoxy]phosphino]oxy-2-isopropoxy-propyl] ester Formula: C33H56N2O6PS+ MolecularWeight: 639.846301

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H55N2O6PS/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-34-33(36)38-26-32(40-29(2)3)27-39-42(37)41-31-20-18-19-30(24-31)25-35-22-23-43-28-35/h18-20,22-24,28-29,32,37H,4-17,21,25-27H2,1-3H3/p+1