dimethyl-[(E)-1-octadecoxy-2-oxidanyl-henicos-12-en-4-yl]azanium chloride

Systemtic Name: dimethyl-[(E)-1-octadecoxy-2-oxidanyl-henicos-12-en-4-yl]azanium chloride Openeye Name: [(E)-1-(2-hydroxy-3-octadecoxy-propyl)octadec-9-enyl]-dimethyl-ammonium chloride CAS Name: [(E)-2-hydroxy-1-octadecoxyheneicos-12-en-4-yl]-dimethylammonium chloride IUPAC Name: [(E)-2-hydroxy-1-octadecoxyhenicos-12-en-4-yl]-dimethylazanium chloride Traditional Name: [(E)-1-(2-hydroxy-3-stearyloxy-propyl)octadec-9-enyl]-dimethyl-ammonium chloride Formula: C41H84ClNO2 MolecularWeight: 658.56416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(CC(CCCCCCCC=CCCCCCCCC)[NH+](C)C)O.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(CC(CCCCCCC/C=C/CCCCCCCC)[NH+](C)C)O.[Cl-]

InChI

InChI=1S/C41H83NO2.ClH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44-39-41(43)38-40(42(3)4)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h20,22,40-41,43H,5-19,21,23-39H2,1-4H3;1H/b22-20+;