[(E)-docos-9-en-5-yl] ethyl (1-ethylpyrrolidin-1-ium-1-yl) phosphate

Systemtic Name: [(E)-docos-9-en-5-yl] ethyl (1-ethylpyrrolidin-1-ium-1-yl) phosphate Openeye Name: [(E)-1-butyloctadec-5-enyl] ethyl (1-ethylpyrrolidin-1-ium-1-yl) phosphate CAS Name: phosphoric acid [(E)-docos-9-en-5-yl] ethyl (1-ethyl-1-pyrrolidin-1-iumyl) ester IUPAC Name: [(E)-docos-9-en-5-yl] ethyl (1-ethylpyrrolidin-1-ium-1-yl) phosphate Traditional Name: phosphoric acid [(E)-1-butyloctadec-5-enyl] ethyl (1-ethylpyrrolidin-1-ium-1-yl) ester Formula: C30H61NO4P+ MolecularWeight: 530.783401

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCC/C=C/CCCC(CCCC)OP(=O)(OCC)O[N+]1(CCCC1)CC

InChI

InChI=1S/C30H61NO4P/c1-5-9-11-12-13-14-15-16-17-18-19-20-21-22-23-27-30(26-10-6-2)34-36(32,33-8-4)35-31(7-3)28-24-25-29-31/h20-21,30H,5-19,22-29H2,1-4H3/q+1/b21-20+