[2-methoxy-3-[oxidanyl-[4-(1,3-thiazol-3-ium-3-ylmethyl)phenoxy]phosphanyl]oxy-propyl] N-hexadecylcarbamate

Systemtic Name: [2-methoxy-3-[oxidanyl-[4-(1,3-thiazol-3-ium-3-ylmethyl)phenoxy]phosphanyl]oxy-propyl] N-hexadecylcarbamate Openeye Name: [3-[hydroxy-[4-(thiazol-3-ium-3-ylmethyl)phenoxy]phosphanyl]oxy-2-methoxy-propyl] N-hexadecylcarbamate CAS Name: N-hexadecylcarbamic acid [3-[hydroxy-[4-(3-thiazol-3-iumylmethyl)phenoxy]phosphino]oxy-2-methoxypropyl] ester IUPAC Name: [3-[hydroxy-[4-(1,3-thiazol-3-ium-3-ylmethyl)phenoxy]phosphanyl]oxy-2-methoxypropyl] N-hexadecylcarbamate Traditional Name: N-cetylcarbamic acid [3-[hydroxy-[4-(thiazol-3-ium-3-ylmethyl)phenoxy]phosphino]oxy-2-methoxy-propyl] ester Formula: C31H52N2O6PS+ MolecularWeight: 611.793141

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H51N2O6PS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-32-31(34)37-25-30(36-2)26-38-40(35)39-29-19-17-28(18-20-29)24-33-22-23-41-27-33/h17-20,22-23,27,30,35H,3-16,21,24-26H2,1-2H3/p+1