hexyl(trimethyl)azanium; [(E)-2-oxidanyl-4-oxidanylidene-pentacos-16-en-3-yl] dihydrogen phosphate

Systemtic Name: hexyl(trimethyl)azanium; [(E)-2-oxidanyl-4-oxidanylidene-pentacos-16-en-3-yl] dihydrogen phosphate Openeye Name: hexyl(trimethyl)ammonium; [(E)-1-(1-hydroxyethyl)-2-oxo-tricos-14-enyl] dihydrogen phosphate CAS Name: hexyl(trimethyl)ammonium; [(E)-2-hydroxy-4-oxopentacos-16-en-3-yl] dihydrogen phosphate IUPAC Name: hexyl(trimethyl)azanium; [(E)-2-hydroxy-4-oxopentacos-16-en-3-yl] dihydrogen phosphate Traditional Name: hexyl(trimethyl)ammonium; [(E)-1-(1-hydroxyethyl)-2-keto-tricos-14-enyl] dihydrogen phosphate Formula: C34H71NO6P+ MolecularWeight: 620.904401

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H49O6P.C9H22N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(27)25(23(2)26)31-32(28,29)30;1-5-6-7-8-9-10(2,3)4/h10-11,23,25-26H,3-9,12-22H2,1-2H3,(H2,28,29,30);5-9H2,1-4H3/q;+1/b11-10+;