2-[2-heptadecyl-1-[2-(octadecanoylamino)ethyl]-4,5-dihydroimidazol-1-ium-1-yl]ethanoate

Systemtic Name: 2-[2-heptadecyl-1-[2-(octadecanoylamino)ethyl]-4,5-dihydroimidazol-1-ium-1-yl]ethanoate Openeye Name: 2-[2-heptadecyl-1-[2-(octadecanoylamino)ethyl]-4,5-dihydroimidazol-1-ium-1-yl]acetate CAS Name: 2-[2-heptadecyl-1-[2-(1-oxooctadecylamino)ethyl]-4,5-dihydroimidazol-1-ium-1-yl]acetate IUPAC Name: 2-[2-heptadecyl-1-[2-(octadecanoylamino)ethyl]-4,5-dihydroimidazol-1-ium-1-yl]acetate Traditional Name: 2-[2-heptadecyl-1-(2-stearamidoethyl)-2-imidazolin-1-ium-1-yl]acetate Formula: C42H81N3O3 MolecularWeight: 676.11084

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=NCC[N+]1(CCNC(=O)CCCCCCCCCCCCCCCCC)CC(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=NCC[N+]1(CCNC(=O)CCCCCCCCCCCCCCCCC)CC(=O)[O-]

InChI

InChI=1S/C42H81N3O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40-43-35-37-45(40,39-42(47)48)38-36-44-41(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-39H2,1-2H3,(H-,44,46,47,48)