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

Systemtic Name: [2-(dimethylcarbamoyloxy)-3-octadecoxy-propyl] 2-pyridin-1-ium-1-ylethyl phosphate Openeye Name: [2-(dimethylcarbamoyloxy)-3-octadecoxy-propyl] 2-pyridin-1-ium-1-ylethyl phosphate CAS Name: [2-[dimethylamino(oxo)methoxy]-3-octadecoxypropyl] 2-(1-pyridin-1-iumyl)ethyl phosphate IUPAC Name: [2-(dimethylcarbamoyloxy)-3-octadecoxypropyl] 2-pyridin-1-ium-1-ylethyl phosphate Traditional Name: [2-(dimethylcarbamoyloxy)-3-stearyloxy-propyl] 2-pyridin-1-ium-1-ylethyl phosphate Formula: C31H57N2O7P MolecularWeight: 600.767241

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H57N2O7P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-26-37-28-30(40-31(34)32(2)3)29-39-41(35,36)38-27-25-33-23-20-19-21-24-33/h19-21,23-24,30H,4-18,22,25-29H2,1-3H3