2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl-trimethyl-azanium ethanoate

Systemtic Name: 2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl-trimethyl-azanium ethanoate Openeye Name: 2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl-trimethyl-ammonium acetate CAS Name: 2,3-bis[(Z)-1-oxooctadec-9-enoxy]propyl-trimethylammonium acetate IUPAC Name: 2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl-trimethylazanium acetate Traditional Name: 2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl-trimethyl-ammonium acetate Formula: C44H83NO6 MolecularWeight: 722.13292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C42H80NO4.C2H4O2/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-41(44)46-39-40(38-43(3,4)5)47-42(45)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2;1-2(3)4/h20-23,40H,6-19,24-39H2,1-5H3;1H3,(H,3,4)/q+1;/p-1/b22-20-,23-21-;