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

Systemtic Name: 2-(3-carboxypyridin-1-ium-1-yl)ethyl (2-methoxy-3-octadecoxy-propyl) phosphate Openeye Name: 2-(3-carboxypyridin-1-ium-1-yl)ethyl (2-methoxy-3-octadecoxy-propyl) phosphate CAS Name: 2-(3-carboxy-1-pyridin-1-iumyl)ethyl (2-methoxy-3-octadecoxypropyl) phosphate IUPAC Name: 2-(3-carboxypyridin-1-ium-1-yl)ethyl (2-methoxy-3-octadecoxypropyl) phosphate Traditional Name: 2-(3-carboxypyridin-1-ium-1-yl)ethyl (2-methoxy-3-stearyloxy-propyl) phosphate Formula: C30H54NO8P MolecularWeight: 587.725421

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H54NO8P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-37-26-29(36-2)27-39-40(34,35)38-24-22-31-21-19-20-28(25-31)30(32)33/h19-21,25,29H,3-18,22-24,26-27H2,1-2H3,(H-,32,33,34,35)