[3-[[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenoxy]-oxidanyl-phosphanyl]oxy-2-propan-2-yloxy-propyl] N-hexadecylcarbamate

Systemtic Name: [3-[[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenoxy]-oxidanyl-phosphanyl]oxy-2-propan-2-yloxy-propyl] N-hexadecylcarbamate Openeye Name: [3-[hydroxy-[3-[(5-methylthiazol-3-ium-3-yl)methyl]phenoxy]phosphanyl]oxy-2-isopropoxy-propyl] N-hexadecylcarbamate CAS Name: N-hexadecylcarbamic acid [3-[hydroxy-[3-[(5-methyl-3-thiazol-3-iumyl)methyl]phenoxy]phosphino]oxy-2-propan-2-yloxypropyl] ester IUPAC Name: [3-[hydroxy-[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenoxy]phosphanyl]oxy-2-propan-2-yloxypropyl] N-hexadecylcarbamate Traditional Name: N-cetylcarbamic acid [3-[hydroxy-[3-[(5-methylthiazol-3-ium-3-yl)methyl]phenoxy]phosphino]oxy-2-isopropoxy-propyl] ester Formula: C34H58N2O6PS+ MolecularWeight: 653.872881

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H57N2O6PS/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-35-34(37)39-26-33(41-29(2)3)27-40-43(38)42-32-21-19-20-31(23-32)25-36-24-30(4)44-28-36/h19-21,23-24,28-29,33,38H,5-18,22,25-27H2,1-4H3/p+1