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

Systemtic Name: 1,3-diethyl-4-hexadecyl-2-pentadecyl-4,5-dihydroimidazol-1-ium chloride Openeye Name: 1,3-diethyl-4-hexadecyl-2-pentadecyl-4,5-dihydroimidazol-1-ium chloride CAS Name: 1,3-diethyl-4-hexadecyl-2-pentadecyl-4,5-dihydroimidazol-1-ium chloride IUPAC Name: 1,3-diethyl-4-hexadecyl-2-pentadecyl-4,5-dihydroimidazol-1-ium chloride Traditional Name: 4-cetyl-1,3-diethyl-2-pentadecyl-2-imidazolin-1-ium chloride Formula: C38H77ClN2 MolecularWeight: 597.48438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C38H77N2.ClH/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