2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl-bis(2-hydroxyethyl)-methyl-azanium iodide

Systemtic Name: 2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl-bis(2-hydroxyethyl)-methyl-azanium iodide Openeye Name: 2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl-bis(2-hydroxyethyl)-methyl-ammonium iodide CAS Name: 2,3-bis[(Z)-1-oxooctadec-9-enoxy]propyl-bis(2-hydroxyethyl)-methylammonium iodide IUPAC Name: 2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl-bis(2-hydroxyethyl)-methylazanium iodide Traditional Name: 2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl-bis(2-hydroxyethyl)-methyl-ammonium iodide Formula: C44H84INO6 MolecularWeight: 850.04533

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C44H84NO6.HI/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-43(48)50-41-42(40-45(3,36-38-46)37-39-47)51-44(49)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;/h18-21,42,46-47H,4-17,22-41H2,1-3H3;1H/q+1;/p-1/b20-18-,21-19-;