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

Systemtic Name: [2-(butylcarbamoyloxy)-3-octadecoxy-propyl] 2-pyridin-1-ium-1-ylethyl phosphate Openeye Name: [2-(butylcarbamoyloxy)-3-octadecoxy-propyl] 2-pyridin-1-ium-1-ylethyl phosphate CAS Name: [2-[butylamino(oxo)methoxy]-3-octadecoxypropyl] 2-(1-pyridin-1-iumyl)ethyl phosphate IUPAC Name: [2-(butylcarbamoyloxy)-3-octadecoxypropyl] 2-pyridin-1-ium-1-ylethyl phosphate Traditional Name: [2-(butylcarbamoyloxy)-3-stearyloxy-propyl] 2-pyridin-1-ium-1-ylethyl phosphate Formula: C33H61N2O7P MolecularWeight: 628.820401

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H61N2O7P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-23-28-39-30-32(42-33(36)34-24-6-4-2)31-41-43(37,38)40-29-27-35-25-21-20-22-26-35/h20-22,25-26,32H,3-19,23-24,27-31H2,1-2H3,(H-,34,36,37,38)