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

Systemtic Name: [2-methoxy-3-[[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenoxy]-oxidanyl-phosphanyl]oxy-propyl] N-hexadecylcarbamate Openeye Name: [3-[hydroxy-[3-[(5-methylthiazol-3-ium-3-yl)methyl]phenoxy]phosphanyl]oxy-2-methoxy-propyl] N-hexadecylcarbamate CAS Name: N-hexadecylcarbamic acid [3-[hydroxy-[3-[(5-methyl-3-thiazol-3-iumyl)methyl]phenoxy]phosphino]oxy-2-methoxypropyl] ester IUPAC Name: [3-[hydroxy-[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenoxy]phosphanyl]oxy-2-methoxypropyl] N-hexadecylcarbamate Traditional Name: N-cetylcarbamic acid [3-[hydroxy-[3-[(5-methylthiazol-3-ium-3-yl)methyl]phenoxy]phosphino]oxy-2-methoxy-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)C)OC

Isomeric SMILES

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

InChI

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