(E)-N-[2-(2-heptadecyl-1-methyl-4,5-dihydroimidazol-1-ium-1-yl)icosan-2-yl]octadec-9-enamide

Systemtic Name: (E)-N-[2-(2-heptadecyl-1-methyl-4,5-dihydroimidazol-1-ium-1-yl)icosan-2-yl]octadec-9-enamide Openeye Name: (E)-N-[1-(2-heptadecyl-1-methyl-4,5-dihydroimidazol-1-ium-1-yl)-1-methyl-nonadecyl]octadec-9-enamide CAS Name: (E)-N-[2-(2-heptadecyl-1-methyl-4,5-dihydroimidazol-1-ium-1-yl)eicosan-2-yl]-9-octadecenamide IUPAC Name: (E)-N-[2-(2-heptadecyl-1-methyl-4,5-dihydroimidazol-1-ium-1-yl)icosan-2-yl]octadec-9-enamide Traditional Name: (E)-N-[1-(2-heptadecyl-1-methyl-2-imidazolin-1-ium-1-yl)-1-methyl-nonadecyl]octadec-9-enamide Formula: C59H116N3O+ MolecularWeight: 883.57184

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(C)(NC(=O)CCCCCCCC=CCCCCCCCC)[N+]1(CCN=C1CCCCCCCCCCCCCCCCC)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(C)(NC(=O)CCCCCCC/C=C/CCCCCCCC)[N+]1(CCN=C1CCCCCCCCCCCCCCCCC)C

InChI

InChI=1S/C59H115N3O/c1-6-9-12-15-18-21-24-27-30-33-36-39-42-45-48-51-54-59(4,61-58(63)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-3)62(5)56-55-60-57(62)52-49-46-43-40-37-34-31-28-25-22-19-16-13-10-7-2/h29,32H,6-28,30-31,33-56H2,1-5H3/p+1/b32-29+