dimethyl-bis[2-[(E)-octadec-9-enoyl]oxy-2-oxidanylidene-ethyl]azanium chloride

Systemtic Name: dimethyl-bis[2-[(E)-octadec-9-enoyl]oxy-2-oxidanylidene-ethyl]azanium chloride Openeye Name: dimethyl-bis[2-[(E)-octadec-9-enoyl]oxy-2-oxo-ethyl]ammonium chloride CAS Name: dimethyl-bis[2-oxo-2-[(E)-1-oxooctadec-9-enoxy]ethyl]ammonium chloride IUPAC Name: dimethyl-bis[2-[(E)-octadec-9-enoyl]oxy-2-oxoethyl]azanium chloride Traditional Name: bis[2-keto-2-[(E)-octadec-9-enoyl]oxy-ethyl]-dimethyl-ammonium chloride Formula: C42H76ClNO6 MolecularWeight: 726.50894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C42H76NO6.ClH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39(44)48-41(46)37-43(3,4)38-42(47)49-40(45)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h19-22H,5-18,23-38H2,1-4H3;1H/q+1;/p-1/b21-19+,22-20+;