2-(3-ethoxycarbonylpyridin-1-ium-1-yl)ethyl (2-methoxy-3-octadecoxy-propyl) phosphate

Systemtic Name: 2-(3-ethoxycarbonylpyridin-1-ium-1-yl)ethyl (2-methoxy-3-octadecoxy-propyl) phosphate Openeye Name: 2-(3-ethoxycarbonylpyridin-1-ium-1-yl)ethyl (2-methoxy-3-octadecoxy-propyl) phosphate CAS Name: 2-(3-ethoxycarbonyl-1-pyridin-1-iumyl)ethyl (2-methoxy-3-octadecoxypropyl) phosphate IUPAC Name: 2-(3-ethoxycarbonylpyridin-1-ium-1-yl)ethyl (2-methoxy-3-octadecoxypropyl) phosphate Traditional Name: 2-(3-carbethoxypyridin-1-ium-1-yl)ethyl (2-methoxy-3-stearyloxy-propyl) phosphate Formula: C32H58NO8P MolecularWeight: 615.778581

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H58NO8P/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-38-28-31(37-3)29-41-42(35,36)40-26-24-33-23-21-22-30(27-33)32(34)39-5-2/h21-23,27,31H,4-20,24-26,28-29H2,1-3H3