[2-(dimethylcarbamoyloxy)-3-(octadecylcarbamoyloxy)propyl] 2-pyridin-1-ium-1-ylethyl phosphate

Systemtic Name: [2-(dimethylcarbamoyloxy)-3-(octadecylcarbamoyloxy)propyl] 2-pyridin-1-ium-1-ylethyl phosphate Openeye Name: [2-(dimethylcarbamoyloxy)-3-(octadecylcarbamoyloxy)propyl] 2-pyridin-1-ium-1-ylethyl phosphate CAS Name: [2-[dimethylamino(oxo)methoxy]-3-[(octadecylamino)-oxomethoxy]propyl] 2-(1-pyridin-1-iumyl)ethyl phosphate IUPAC Name: [2-(dimethylcarbamoyloxy)-3-(octadecylcarbamoyloxy)propyl] 2-pyridin-1-ium-1-ylethyl phosphate Traditional Name: [2-(dimethylcarbamoyloxy)-3-(stearylcarbamoyloxy)propyl] 2-pyridin-1-ium-1-ylethyl phosphate Formula: C32H58N3O8P MolecularWeight: 643.791981

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OCC(COP(=O)([O-])OCC[N+]1=CC=CC=C1)OC(=O)N(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OCC(COP(=O)([O-])OCC[N+]1=CC=CC=C1)OC(=O)N(C)C

InChI

InChI=1S/C32H58N3O8P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23-33-31(36)40-28-30(43-32(37)34(2)3)29-42-44(38,39)41-27-26-35-24-21-19-22-25-35/h19,21-22,24-25,30H,4-18,20,23,26-29H2,1-3H3,(H-,33,36,38,39)