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

Systemtic Name: 1,2-bis[[(Z)-octadec-9-enoyl]oxy]propyl-trimethyl-azanium chloride Openeye Name: 1,2-bis[[(Z)-octadec-9-enoyl]oxy]propyl-trimethyl-ammonium chloride CAS Name: 1,2-bis[(Z)-1-oxooctadec-9-enoxy]propyl-trimethylammonium chloride IUPAC Name: 1,2-bis[[(Z)-octadec-9-enoyl]oxy]propyl-trimethylazanium chloride Traditional Name: 1,2-bis[[(Z)-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(C)C([N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCC.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C42H80NO4.ClH/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-40(44)46-39(3)42(43(4,5)6)47-41(45)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2;/h21-24,39,42H,7-20,25-38H2,1-6H3;1H/q+1;/p-1/b23-21-,24-22-;