2,4-bis[[(E)-octadec-9-enoyl]oxy]pentan-3-ylazanium chloride

Systemtic Name: 2,4-bis[[(E)-octadec-9-enoyl]oxy]pentan-3-ylazanium chloride Openeye Name: [2-[(E)-octadec-9-enoyl]oxy-1-[1-[(E)-octadec-9-enoyl]oxyethyl]propyl]ammonium chloride CAS Name: 2,4-bis[(E)-1-oxooctadec-9-enoxy]pentan-3-ylammonium chloride IUPAC Name: 2,4-bis[[(E)-octadec-9-enoyl]oxy]pentan-3-ylazanium chloride Traditional Name: [2-[(E)-octadec-9-enoyl]oxy-1-[1-[(E)-octadec-9-enoyl]oxyethyl]propyl]ammonium chloride Formula: C41H78ClNO4 MolecularWeight: 684.51532

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OC(C)C(C(C)OC(=O)CCCCCCCC=CCCCCCCCC)[NH3+].[Cl-]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OC(C([NH3+])C(OC(=O)CCCCCCC/C=C/CCCCCCCC)C)C.[Cl-]

InChI

InChI=1S/C41H77NO4.ClH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39(43)45-37(3)41(42)38(4)46-40(44)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h19-22,37-38,41H,5-18,23-36,42H2,1-4H3;1H/b21-19+,22-20+;