[(E)-docos-13-enyl] ethyl (1-methylpyrrolidin-1-ium-1-yl) phosphate

Systemtic Name: [(E)-docos-13-enyl] ethyl (1-methylpyrrolidin-1-ium-1-yl) phosphate Openeye Name: [(E)-docos-13-enyl] ethyl (1-methylpyrrolidin-1-ium-1-yl) phosphate CAS Name: phosphoric acid [(E)-docos-13-enyl] ethyl (1-methyl-1-pyrrolidin-1-iumyl) ester IUPAC Name: [(E)-docos-13-enyl] ethyl (1-methylpyrrolidin-1-ium-1-yl) phosphate Traditional Name: phosphoric acid [(E)-docos-13-enyl] ethyl (1-methylpyrrolidin-1-ium-1-yl) ester Formula: C29H59NO4P+ MolecularWeight: 516.756821

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCCCCCOP(=O)(OCC)O[N+]1(CCCC1)C

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCCCCCOP(=O)(OCC)O[N+]1(CCCC1)C

InChI

InChI=1S/C29H59NO4P/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-29-33-35(31,32-5-2)34-30(3)27-24-25-28-30/h12-13H,4-11,14-29H2,1-3H3/q+1/b13-12+