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

Systemtic Name: [(E)-docos-13-enyl] ethyl (1-ethylpyrrolidin-1-ium-1-yl) phosphate Openeye Name: [(E)-docos-13-enyl] ethyl (1-ethylpyrrolidin-1-ium-1-yl) phosphate CAS Name: phosphoric acid [(E)-docos-13-enyl] ethyl (1-ethyl-1-pyrrolidin-1-iumyl) ester IUPAC Name: [(E)-docos-13-enyl] ethyl (1-ethylpyrrolidin-1-ium-1-yl) phosphate Traditional Name: phosphoric acid [(E)-docos-13-enyl] ethyl (1-ethylpyrrolidin-1-ium-1-yl) ester Formula: C30H61NO4P+ MolecularWeight: 530.783401

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H61NO4P/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27-30-34-36(32,33-6-3)35-31(5-2)28-25-26-29-31/h13-14H,4-12,15-30H2,1-3H3/q+1/b14-13+