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

Systemtic Name: [4-[2-[(Z)-hexadec-7-enyl]icosanoyloxy]-2-oxidanyl-4-oxidanylidene-butyl]-trimethyl-azanium Openeye Name: [4-[2-[(Z)-hexadec-7-enyl]icosanoyloxy]-2-hydroxy-4-oxo-butyl]-trimethyl-ammonium CAS Name: [4-[2-[(Z)-hexadec-7-enyl]-1-oxoeicosoxy]-2-hydroxy-4-oxobutyl]-trimethylammonium IUPAC Name: [4-[2-[(Z)-hexadec-7-enyl]icosanoyloxy]-2-hydroxy-4-oxobutyl]-trimethylazanium Traditional Name: [2-hydroxy-4-keto-4-[(Z)-2-stearyloctadec-9-enoyl]oxy-butyl]-trimethyl-ammonium Formula: C43H84NO4+ MolecularWeight: 679.13136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C43H84NO4/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/q+1/b24-21-