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

Systemtic Name: [2-methoxy-3-(octadecylcarbamoyloxy)propyl] [3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] phosphate Openeye Name: [2-methoxy-3-(octadecylcarbamoyloxy)propyl] [3-(thiazol-3-ium-3-ylmethyl)phenyl] phosphate CAS Name: [2-methoxy-3-[(octadecylamino)-oxomethoxy]propyl] [3-(3-thiazol-3-iumylmethyl)phenyl] phosphate IUPAC Name: [2-methoxy-3-(octadecylcarbamoyloxy)propyl] [3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] phosphate Traditional Name: [2-methoxy-3-(stearylcarbamoyloxy)propyl] [3-(thiazol-3-ium-3-ylmethyl)phenyl] phosphate Formula: C33H55N2O7PS MolecularWeight: 654.837761

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C33H55N2O7PS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-34-33(36)40-27-32(39-2)28-41-43(37,38)42-31-21-19-20-30(25-31)26-35-23-24-44-29-35/h19-21,23-25,29,32H,3-18,22,26-28H2,1-2H3,(H-,34,36,37,38)