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

Systemtic Name: 2,3-bis[[(E)-heptadec-9-enoyl]oxy]propyl-trimethyl-azanium chloride Openeye Name: 2,3-bis[[(E)-heptadec-9-enoyl]oxy]propyl-trimethyl-ammonium chloride CAS Name: 2,3-bis[(E)-1-oxoheptadec-9-enoxy]propyl-trimethylammonium chloride IUPAC Name: 2,3-bis[[(E)-heptadec-9-enoyl]oxy]propyl-trimethylazanium chloride Traditional Name: 2,3-bis[[(E)-heptadec-9-enoyl]oxy]propyl-trimethyl-ammonium chloride Formula: C40H76ClNO4 MolecularWeight: 670.48874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C40H76NO4.ClH/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-39(42)44-37-38(36-41(3,4)5)45-40(43)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2;/h18-21,38H,6-17,22-37H2,1-5H3;1H/q+1;/p-1/b20-18+,21-19+;