methyl-tris[1-[(E)-octadec-9-enoyl]oxyethyl]azanium chloride

Systemtic Name: methyl-tris[1-[(E)-octadec-9-enoyl]oxyethyl]azanium chloride Openeye Name: methyl-tris[1-[(E)-octadec-9-enoyl]oxyethyl]ammonium chloride CAS Name: methyl-tris[1-[(E)-1-oxooctadec-9-enoxy]ethyl]ammonium chloride IUPAC Name: methyl-tris[1-[(E)-octadec-9-enoyl]oxyethyl]azanium chloride Traditional Name: methyl-tris[1-[(E)-octadec-9-enoyl]oxyethyl]ammonium chloride Formula: C61H114ClNO6 MolecularWeight: 993.01396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C61H114NO6.ClH/c1-8-11-14-17-20-23-26-29-32-35-38-41-44-47-50-53-59(63)66-56(4)62(7,57(5)67-60(64)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-2)58(6)68-61(65)55-52-49-46-43-40-37-34-31-28-25-22-19-16-13-10-3;/h29-34,56-58H,8-28,35-55H2,1-7H3;1H/q+1;/p-1/b32-29+,33-30+,34-31+;