[2-methoxy-3-(octadecylcarbamoyloxy)propyl] [3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl] phosphate

Systemtic Name: [2-methoxy-3-(octadecylcarbamoyloxy)propyl] [3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl] phosphate Openeye Name: [2-methoxy-3-(octadecylcarbamoyloxy)propyl] [3-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl] phosphate CAS Name: [2-methoxy-3-[(octadecylamino)-oxomethoxy]propyl] [3-[(5-methyl-3-thiazol-3-iumyl)methyl]phenyl] phosphate IUPAC Name: [2-methoxy-3-(octadecylcarbamoyloxy)propyl] [3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl] phosphate Traditional Name: [2-methoxy-3-(stearylcarbamoyloxy)propyl] [3-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl] phosphate Formula: C34H57N2O7PS MolecularWeight: 668.864341

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H57N2O7PS/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-35-34(37)41-27-33(40-3)28-42-44(38,39)43-32-22-20-21-31(24-32)26-36-25-30(2)45-29-36/h20-22,24-25,29,33H,4-19,23,26-28H2,1-3H3,(H-,35,37,38,39)