(E)-N-[(E)-4-(4,5-dihydro-1H-imidazol-3-ium-3-yl)-3-[[(E)-octadec-9-enoyl]amino]icos-11-en-3-yl]octadec-9-enamide

Systemtic Name: (E)-N-[(E)-4-(4,5-dihydro-1H-imidazol-3-ium-3-yl)-3-[[(E)-octadec-9-enoyl]amino]icos-11-en-3-yl]octadec-9-enamide Openeye Name: (E)-N-[(E)-2-(4,5-dihydro-1H-imidazol-3-ium-3-yl)-1-ethyl-1-[[(E)-octadec-9-enoyl]amino]octadec-9-enyl]octadec-9-enamide CAS Name: (E)-N-[(E)-4-(4,5-dihydro-1H-imidazol-3-ium-3-yl)-3-[[(E)-1-oxooctadec-9-enyl]amino]eicos-11-en-3-yl]-9-octadecenamide IUPAC Name: (E)-N-[(E)-4-(4,5-dihydro-1H-imidazol-3-ium-3-yl)-3-[[(E)-octadec-9-enoyl]amino]icos-11-en-3-yl]octadec-9-enamide Traditional Name: (E)-N-[(E)-1-ethyl-2-(2-imidazolin-1-ium-1-yl)-1-[[(E)-octadec-9-enoyl]amino]octadec-9-enyl]octadec-9-enamide Formula: C59H111N4O2+ MolecularWeight: 908.53824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)NC(CC)(C(CCCCCCC=CCCCCCCCC)[N+]1=CNCC1)NC(=O)CCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)NC(NC(=O)CCCCCCC/C=C/CCCCCCCC)(C([N+]1=CNCC1)CCCCCC/C=C/CCCCCCCC)CC

InChI

InChI=1S/C59H110N4O2/c1-5-9-12-15-18-21-24-27-30-33-36-39-42-45-48-51-57(64)61-59(8-4,62-58(65)52-49-46-43-40-37-34-31-28-25-22-19-16-13-10-6-2)56(63-54-53-60-55-63)50-47-44-41-38-35-32-29-26-23-20-17-14-11-7-3/h27-32,55-56H,5-26,33-54H2,1-4H3,(H2,61,62,64,65)/p+1/b30-27+,31-28+,32-29+