1,2-bis[[(E)-octadec-9-enoyl]oxy]propyl-dimethyl-azanium chloride

Systemtic Name: 1,2-bis[[(E)-octadec-9-enoyl]oxy]propyl-dimethyl-azanium chloride Openeye Name: 1,2-bis[[(E)-octadec-9-enoyl]oxy]propyl-dimethyl-ammonium chloride CAS Name: 1,2-bis[(E)-1-oxooctadec-9-enoxy]propyl-dimethylammonium chloride IUPAC Name: 1,2-bis[[(E)-octadec-9-enoyl]oxy]propyl-dimethylazanium chloride Traditional Name: 1,2-bis[[(E)-octadec-9-enoyl]oxy]propyl-dimethyl-ammonium chloride Formula: C41H78ClNO4 MolecularWeight: 684.51532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C41H77NO4.ClH/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39(43)45-38(3)41(42(4)5)46-40(44)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2;/h20-23,38,41H,6-19,24-37H2,1-5H3;1H/b22-20+,23-21+;