1,3-diethyl-2-heptadecyl-4-octadecyl-4,5-dihydroimidazol-1-ium bromide

Systemtic Name: 1,3-diethyl-2-heptadecyl-4-octadecyl-4,5-dihydroimidazol-1-ium bromide Openeye Name: 1,3-diethyl-2-heptadecyl-4-octadecyl-4,5-dihydroimidazol-1-ium bromide CAS Name: 1,3-diethyl-2-heptadecyl-4-octadecyl-4,5-dihydroimidazol-1-ium bromide IUPAC Name: 1,3-diethyl-2-heptadecyl-4-octadecyl-4,5-dihydroimidazol-1-ium bromide Traditional Name: 1,3-diethyl-2-heptadecyl-4-stearyl-2-imidazolin-1-ium bromide Formula: C42H85BrN2 MolecularWeight: 698.0417

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1C[N+](=C(N1CC)CCCCCCCCCCCCCCCCC)CC.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1C[N+](=C(N1CC)CCCCCCCCCCCCCCCCC)CC.[Br-]

InChI

InChI=1S/C42H85N2.BrH/c1-5-9-11-13-15-17-19-21-23-25-26-28-30-32-34-36-38-41-40-43(7-3)42(44(41)8-4)39-37-35-33-31-29-27-24-22-20-18-16-14-12-10-6-2;/h41H,5-40H2,1-4H3;1H/q+1;/p-1