[(E)-docos-13-enyl] ethyl (4-methylmorpholin-4-ium-4-yl) phosphate

Systemtic Name: [(E)-docos-13-enyl] ethyl (4-methylmorpholin-4-ium-4-yl) phosphate Openeye Name: [(E)-docos-13-enyl] ethyl (4-methylmorpholin-4-ium-4-yl) phosphate CAS Name: phosphoric acid [(E)-docos-13-enyl] ethyl (4-methyl-4-morpholin-4-iumyl) ester IUPAC Name: [(E)-docos-13-enyl] ethyl (4-methylmorpholin-4-ium-4-yl) phosphate Traditional Name: phosphoric acid [(E)-docos-13-enyl] ethyl (4-methylmorpholin-4-ium-4-yl) ester Formula: C29H59NO5P+ MolecularWeight: 532.756221

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCCCCCOP(=O)(OCC)O[N+]1(CCOCC1)C

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCCCCCOP(=O)(OCC)O[N+]1(CCOCC1)C

InChI

InChI=1S/C29H59NO5P/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27-34-36(31,33-5-2)35-30(3)25-28-32-29-26-30/h12-13H,4-11,14-29H2,1-3H3/q+1/b13-12+