[(E)-docos-9-en-4-yl] ethyl (4-methylmorpholin-4-ium-4-yl) phosphate

Systemtic Name: [(E)-docos-9-en-4-yl] ethyl (4-methylmorpholin-4-ium-4-yl) phosphate Openeye Name: ethyl (4-methylmorpholin-4-ium-4-yl) [(E)-1-propylnonadec-6-enyl] phosphate CAS Name: phosphoric acid [(E)-docos-9-en-4-yl] ethyl (4-methyl-4-morpholin-4-iumyl) ester IUPAC Name: [(E)-docos-9-en-4-yl] ethyl (4-methylmorpholin-4-ium-4-yl) phosphate Traditional Name: phosphoric acid ethyl (4-methylmorpholin-4-ium-4-yl) [(E)-1-propylnonadec-6-enyl] ester Formula: C29H59NO5P+ MolecularWeight: 532.756221

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC=CCCCCC(CCC)OP(=O)(OCC)O[N+]1(CCOCC1)C

Isomeric SMILES

CCCCCCCCCCCC/C=C/CCCCC(CCC)OP(=O)(OCC)O[N+]1(CCOCC1)C

InChI

InChI=1S/C29H59NO5P/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-29(23-6-2)34-36(31,33-7-3)35-30(4)25-27-32-28-26-30/h18-19,29H,5-17,20-28H2,1-4H3/q+1/b19-18+