2,4-bis[[(E)-octadec-9-enoyl]oxy]pentan-3-yl-(1-hydroxyethyl)azanium

Systemtic Name: 2,4-bis[[(E)-octadec-9-enoyl]oxy]pentan-3-yl-(1-hydroxyethyl)azanium Openeye Name: 1-hydroxyethyl-[2-[(E)-octadec-9-enoyl]oxy-1-[1-[(E)-octadec-9-enoyl]oxyethyl]propyl]ammonium CAS Name: 2,4-bis[(E)-1-oxooctadec-9-enoxy]pentan-3-yl-(1-hydroxyethyl)ammonium IUPAC Name: 2,4-bis[[(E)-octadec-9-enoyl]oxy]pentan-3-yl-(1-hydroxyethyl)azanium Traditional Name: 1-hydroxyethyl-[2-[(E)-octadec-9-enoyl]oxy-1-[1-[(E)-octadec-9-enoyl]oxyethyl]propyl]ammonium Formula: C43H82NO5+ MolecularWeight: 693.11488

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OC(C)C(C(C)OC(=O)CCCCCCCC=CCCCCCCCC)[NH2+]C(C)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OC(C([NH2+]C(O)C)C(OC(=O)CCCCCCC/C=C/CCCCCCCC)C)C

InChI

InChI=1S/C43H81NO5/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-41(46)48-38(3)43(44-40(5)45)39(4)49-42(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,38-40,43-45H,6-19,24-37H2,1-5H3/p+1/b22-20+,23-21+