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

Systemtic Name: [3-[[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenoxy]-oxidanyl-phosphanyl]oxy-2-propan-2-yloxy-propyl] N-octadecylcarbamate Openeye Name: [3-[hydroxy-[3-[(5-methylthiazol-3-ium-3-yl)methyl]phenoxy]phosphanyl]oxy-2-isopropoxy-propyl] N-octadecylcarbamate CAS Name: N-octadecylcarbamic 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-octadecylcarbamate Traditional Name: N-stearylcarbamic acid [3-[hydroxy-[3-[(5-methylthiazol-3-ium-3-yl)methyl]phenoxy]phosphino]oxy-2-isopropoxy-propyl] ester Formula: C36H62N2O6PS+ MolecularWeight: 681.926041

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H61N2O6PS/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-37-36(39)41-28-35(43-31(2)3)29-42-45(40)44-34-23-21-22-33(25-34)27-38-26-32(4)46-30-38/h21-23,25-26,30-31,35,40H,5-20,24,27-29H2,1-4H3/p+1