[2-methoxy-3-(tridecylcarbamoyloxy)propyl] 2-pyridin-1-ium-1-ylethyl phosphate

Systemtic Name: [2-methoxy-3-(tridecylcarbamoyloxy)propyl] 2-pyridin-1-ium-1-ylethyl phosphate Openeye Name: [2-methoxy-3-(tridecylcarbamoyloxy)propyl] 2-pyridin-1-ium-1-ylethyl phosphate CAS Name: [2-methoxy-3-[oxo-(tridecylamino)methoxy]propyl] 2-(1-pyridin-1-iumyl)ethyl phosphate IUPAC Name: [2-methoxy-3-(tridecylcarbamoyloxy)propyl] 2-pyridin-1-ium-1-ylethyl phosphate Traditional Name: [2-methoxy-3-(tridecylcarbamoyloxy)propyl] 2-pyridin-1-ium-1-ylethyl phosphate Formula: C25H45N2O7P MolecularWeight: 516.607761

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H45N2O7P/c1-3-4-5-6-7-8-9-10-11-12-14-17-26-25(28)32-22-24(31-2)23-34-35(29,30)33-21-20-27-18-15-13-16-19-27/h13,15-16,18-19,24H,3-12,14,17,20-23H2,1-2H3,(H-,26,28,29,30)