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

Systemtic Name: 2-(3-methoxycarbonylpyridin-1-ium-1-yl)ethyl (2-methoxy-3-octadecoxy-propyl) phosphate Openeye Name: 2-(3-methoxycarbonylpyridin-1-ium-1-yl)ethyl (2-methoxy-3-octadecoxy-propyl) phosphate CAS Name: 2-(3-methoxycarbonyl-1-pyridin-1-iumyl)ethyl (2-methoxy-3-octadecoxypropyl) phosphate IUPAC Name: 2-(3-methoxycarbonylpyridin-1-ium-1-yl)ethyl (2-methoxy-3-octadecoxypropyl) phosphate Traditional Name: 2-(3-carbomethoxypyridin-1-ium-1-yl)ethyl (2-methoxy-3-stearyloxy-propyl) phosphate Formula: C31H56NO8P MolecularWeight: 601.752001

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H56NO8P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-38-27-30(36-2)28-40-41(34,35)39-25-23-32-22-20-21-29(26-32)31(33)37-3/h20-22,26,30H,4-19,23-25,27-28H2,1-3H3