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

Systemtic Name: 1,1-bis[[(E)-octadec-9-enoyl]oxy]propyl-trimethyl-azanium chloride Openeye Name: 1,1-bis[[(E)-octadec-9-enoyl]oxy]propyl-trimethyl-ammonium chloride CAS Name: 1,1-bis[(E)-1-oxooctadec-9-enoxy]propyl-trimethylammonium chloride IUPAC Name: 1,1-bis[[(E)-octadec-9-enoyl]oxy]propyl-trimethylazanium chloride Traditional Name: 1,1-bis[[(E)-octadec-9-enoyl]oxy]propyl-trimethyl-ammonium chloride Formula: C42H80ClNO4 MolecularWeight: 698.5419

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C42H80NO4.ClH/c1-7-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40(44)46-42(9-3,43(4,5)6)47-41(45)39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-8-2;/h22-25H,7-21,26-39H2,1-6H3;1H/q+1;/p-1/b24-22+,25-23+;