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

Systemtic Name: 2,3-bis[[(E)-octadec-9-enoyl]oxy]propyl-trimethyl-azanium Openeye Name: 2,3-bis[[(E)-octadec-9-enoyl]oxy]propyl-trimethyl-ammonium CAS Name: 2,3-bis[(E)-1-oxooctadec-9-enoxy]propyl-trimethylammonium IUPAC Name: 2,3-bis[[(E)-octadec-9-enoyl]oxy]propyl-trimethylazanium Traditional Name: 2,3-bis[[(E)-octadec-9-enoyl]oxy]propyl-trimethyl-ammonium Formula: C42H79NO4 MolecularWeight: 662.08096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C42H79NO4/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/h20-23,39-40H,6-19,24-38H2,1-5H3/b22-20+,23-21+