[4-[2-[(Z)-hexadec-7-enyl]icosanoyloxy]-2-oxidanyl-4-oxidanylidene-butyl]-trimethyl-azanium chloride

Systemtic Name: [4-[2-[(Z)-hexadec-7-enyl]icosanoyloxy]-2-oxidanyl-4-oxidanylidene-butyl]-trimethyl-azanium chloride Openeye Name: [4-[2-[(Z)-hexadec-7-enyl]icosanoyloxy]-2-hydroxy-4-oxo-butyl]-trimethyl-ammonium chloride CAS Name: [4-[2-[(Z)-hexadec-7-enyl]-1-oxoeicosoxy]-2-hydroxy-4-oxobutyl]-trimethylammonium chloride IUPAC Name: [4-[2-[(Z)-hexadec-7-enyl]icosanoyloxy]-2-hydroxy-4-oxobutyl]-trimethylazanium chloride Traditional Name: [2-hydroxy-4-keto-4-[(Z)-2-stearyloctadec-9-enoyl]oxy-butyl]-trimethyl-ammonium chloride Formula: C43H84ClNO4 MolecularWeight: 714.58436

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(CCCCCCC=CCCCCCCCC)C(=O)OC(=O)CC(C[N+](C)(C)C)O.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(CCCCCC/C=C\CCCCCCCC)C(=O)OC(=O)CC(C[N+](C)(C)C)O.[Cl-]

InChI

InChI=1S/C43H84NO4.ClH/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-40(43(47)48-42(46)38-41(45)39-44(3,4)5)36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2;/h21,24,40-41,45H,6-20,22-23,25-39H2,1-5H3;1H/q+1;/p-1/b24-21-;