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

Systemtic Name: 2,2-bis[[(E)-octadec-9-enoyl]oxy]propyl-trimethyl-azanium Openeye Name: 2,2-bis[[(E)-octadec-9-enoyl]oxy]propyl-trimethyl-ammonium CAS Name: 2,2-bis[(E)-1-oxooctadec-9-enoxy]propyl-trimethylammonium IUPAC Name: 2,2-bis[[(E)-octadec-9-enoyl]oxy]propyl-trimethylazanium Traditional Name: 2,2-bis[[(E)-octadec-9-enoyl]oxy]propyl-trimethyl-ammonium Formula: C42H80NO4+ MolecularWeight: 663.0889

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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