butyl(trimethyl)azanium; [(E)-1-oxidanyl-4-oxidanylidene-pentacos-16-en-3-yl] dihydrogen phosphate

Systemtic Name: butyl(trimethyl)azanium; [(E)-1-oxidanyl-4-oxidanylidene-pentacos-16-en-3-yl] dihydrogen phosphate Openeye Name: butyl(trimethyl)ammonium; [(E)-1-(2-hydroxyethyl)-2-oxo-tricos-14-enyl] dihydrogen phosphate CAS Name: butyl(trimethyl)ammonium; [(E)-1-hydroxy-4-oxopentacos-16-en-3-yl] dihydrogen phosphate IUPAC Name: butyl(trimethyl)azanium; [(E)-1-hydroxy-4-oxopentacos-16-en-3-yl] dihydrogen phosphate Traditional Name: butyl(trimethyl)ammonium; [(E)-1-(2-hydroxyethyl)-2-keto-tricos-14-enyl] dihydrogen phosphate Formula: C32H67NO6P+ MolecularWeight: 592.851241

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCCCCC(=O)C(CCO)OP(=O)(O)O.CCCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCCCCC(=O)C(CCO)OP(=O)(O)O.CCCC[N+](C)(C)C

InChI

InChI=1S/C25H49O6P.C7H18N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(27)25(22-23-26)31-32(28,29)30;1-5-6-7-8(2,3)4/h9-10,25-26H,2-8,11-23H2,1H3,(H2,28,29,30);5-7H2,1-4H3/q;+1/b10-9+;