[(E)-docos-9-en-6-yl] ethyl (1-methylpyrrolidin-1-ium-1-yl) phosphate

Systemtic Name: [(E)-docos-9-en-6-yl] ethyl (1-methylpyrrolidin-1-ium-1-yl) phosphate Openeye Name: ethyl (1-methylpyrrolidin-1-ium-1-yl) [(E)-1-pentylheptadec-4-enyl] phosphate CAS Name: phosphoric acid [(E)-docos-9-en-6-yl] ethyl (1-methyl-1-pyrrolidin-1-iumyl) ester IUPAC Name: [(E)-docos-9-en-6-yl] ethyl (1-methylpyrrolidin-1-ium-1-yl) phosphate Traditional Name: phosphoric acid [(E)-1-amylheptadec-4-enyl] ethyl (1-methylpyrrolidin-1-ium-1-yl) ester Formula: C29H59NO4P+ MolecularWeight: 516.756821

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC=CCCC(CCCCC)OP(=O)(OCC)O[N+]1(CCCC1)C

Isomeric SMILES

CCCCCCCCCCCC/C=C/CCC(CCCCC)OP(=O)(OCC)O[N+]1(CCCC1)C

InChI

InChI=1S/C29H59NO4P/c1-5-8-10-11-12-13-14-15-16-17-18-19-20-22-26-29(25-21-9-6-2)33-35(31,32-7-3)34-30(4)27-23-24-28-30/h19-20,29H,5-18,21-28H2,1-4H3/q+1/b20-19+