trimethyl-[2-[(9E,12E)-octadeca-9,12-dienoyl]oxy-4-oxidanyl-4-oxidanylidene-butyl]azanium chloride

Systemtic Name: trimethyl-[2-[(9E,12E)-octadeca-9,12-dienoyl]oxy-4-oxidanyl-4-oxidanylidene-butyl]azanium chloride Openeye Name: [4-hydroxy-2-[(9E,12E)-octadeca-9,12-dienoyl]oxy-4-oxo-butyl]-trimethyl-ammonium chloride CAS Name: [4-hydroxy-4-oxo-2-[(9E,12E)-1-oxooctadeca-9,12-dienoxy]butyl]-trimethylammonium chloride IUPAC Name: [4-hydroxy-2-[(9E,12E)-octadeca-9,12-dienoyl]oxy-4-oxobutyl]-trimethylazanium chloride Traditional Name: [4-hydroxy-4-keto-2-[(9E,12E)-octadeca-9,12-dienoyl]oxy-butyl]-trimethyl-ammonium chloride Formula: C25H46ClNO4 MolecularWeight: 460.09004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C25H45NO4.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)30-23(21-24(27)28)22-26(2,3)4;/h9-10,12-13,23H,5-8,11,14-22H2,1-4H3;1H/b10-9+,13-12+;