2-methyl-3-(phenylmethyl)-1-tetradecyl-4,5-dihydro-1H-imidazole-1,3-diium bromide

Systemtic Name: 2-methyl-3-(phenylmethyl)-1-tetradecyl-4,5-dihydro-1H-imidazole-1,3-diium bromide Openeye Name: 3-benzyl-2-methyl-1-tetradecyl-4,5-dihydro-1H-imidazole-1,3-diium bromide CAS Name: 2-methyl-3-(phenylmethyl)-1-tetradecyl-4,5-dihydro-1H-imidazole-1,3-diium bromide IUPAC Name: 3-benzyl-2-methyl-1-tetradecyl-4,5-dihydro-1H-imidazole-1,3-diium bromide Traditional Name: 1-benzyl-2-methyl-3-myristyl-2-imidazoline-1,3-diium bromide Formula: C25H44BrN2+ MolecularWeight: 452.53426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC[NH+]1CC[N+](=C1C)CC2=CC=CC=C2.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCC[NH+]1CC[N+](=C1C)CC2=CC=CC=C2.[Br-]

InChI

InChI=1S/C25H43N2.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-17-20-26-21-22-27(24(26)2)23-25-18-15-14-16-19-25;/h14-16,18-19H,3-13,17,20-23H2,1-2H3;1H/q+1;