1-(2-octadecyl-4,5-dihydro-1H-imidazol-1-ium-1-yl)icosan-3-one ethanoate

Systemtic Name: 1-(2-octadecyl-4,5-dihydro-1H-imidazol-1-ium-1-yl)icosan-3-one ethanoate Openeye Name: 1-(2-octadecyl-4,5-dihydro-1H-imidazol-1-ium-1-yl)icosan-3-one acetate CAS Name: 1-(2-octadecyl-4,5-dihydro-1H-imidazol-1-ium-1-yl)-3-eicosanone acetate IUPAC Name: 1-(2-octadecyl-4,5-dihydro-1H-imidazol-1-ium-1-yl)icosan-3-one acetate Traditional Name: 1-(2-stearyl-2-imidazolin-1-ium-1-yl)eicosan-3-one acetate Formula: C43H84N2O3 MolecularWeight: 677.13866

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=NCC[NH+]1CCC(=O)CCCCCCCCCCCCCCCCC.CC(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=NCC[NH+]1CCC(=O)CCCCCCCCCCCCCCCCC.CC(=O)[O-]

InChI

InChI=1S/C41H80N2O.C2H4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-41-42-37-39-43(41)38-36-40(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-2(3)4/h3-39H2,1-2H3;1H3,(H,3,4)