1,3-diethyl-4-hexadecyl-2-pentadecyl-4,5-dihydroimidazol-1-ium bromide

Systemtic Name: 1,3-diethyl-4-hexadecyl-2-pentadecyl-4,5-dihydroimidazol-1-ium bromide Openeye Name: 1,3-diethyl-4-hexadecyl-2-pentadecyl-4,5-dihydroimidazol-1-ium bromide CAS Name: 1,3-diethyl-4-hexadecyl-2-pentadecyl-4,5-dihydroimidazol-1-ium bromide IUPAC Name: 1,3-diethyl-4-hexadecyl-2-pentadecyl-4,5-dihydroimidazol-1-ium bromide Traditional Name: 4-cetyl-1,3-diethyl-2-pentadecyl-2-imidazolin-1-ium bromide Formula: C38H77BrN2 MolecularWeight: 641.93538

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1C[N+](=C(N1CC)CCCCCCCCCCCCCCC)CC.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCC1C[N+](=C(N1CC)CCCCCCCCCCCCCCC)CC.[Br-]

InChI

InChI=1S/C38H77N2.BrH/c1-5-9-11-13-15-17-19-21-23-24-26-28-30-32-34-37-36-39(7-3)38(40(37)8-4)35-33-31-29-27-25-22-20-18-16-14-12-10-6-2;/h37H,5-36H2,1-4H3;1H/q+1;/p-1