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

Systemtic Name: [3-chloranyl-2,3-bis[[(E)-octadec-9-enoyl]oxy]propyl]-trimethyl-azanium Openeye Name: [3-chloro-2,3-bis[[(E)-octadec-9-enoyl]oxy]propyl]-trimethyl-ammonium CAS Name: [3-chloro-2,3-bis[(E)-1-oxooctadec-9-enoxy]propyl]-trimethylammonium IUPAC Name: [3-chloro-2,3-bis[[(E)-octadec-9-enoyl]oxy]propyl]-trimethylazanium Traditional Name: [3-chloro-2,3-bis[[(E)-octadec-9-enoyl]oxy]propyl]-trimethyl-ammonium Formula: C42H79ClNO4+ MolecularWeight: 697.53396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C42H79ClNO4/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-40(45)47-39(38-44(3,4)5)42(43)48-41(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,39,42H,6-19,24-38H2,1-5H3/q+1/b22-20+,23-21+