1-(4-fluorophenyl)-4-(3-heptyl-1H-imidazol-3-ium-2-yl)butan-1-one bromide

Systemtic Name: 1-(4-fluorophenyl)-4-(3-heptyl-1H-imidazol-3-ium-2-yl)butan-1-one bromide Openeye Name: 1-(4-fluorophenyl)-4-(3-heptyl-1H-imidazol-3-ium-2-yl)butan-1-one bromide CAS Name: 1-(4-fluorophenyl)-4-(3-heptyl-1H-imidazol-3-ium-2-yl)-1-butanone bromide IUPAC Name: 1-(4-fluorophenyl)-4-(3-heptyl-1H-imidazol-3-ium-2-yl)butan-1-one bromide Traditional Name: 1-(4-fluorophenyl)-4-(3-heptyl-1H-imidazol-3-ium-2-yl)butan-1-one bromide Formula: C20H28BrFN2O MolecularWeight: 411.351523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC[N+]1=C(NC=C1)CCCC(=O)C2=CC=C(C=C2)F.[Br-]

Isomeric SMILES

CCCCCCC[N+]1=C(NC=C1)CCCC(=O)C2=CC=C(C=C2)F.[Br-]

InChI

InChI=1S/C20H27FN2O.BrH/c1-2-3-4-5-6-15-23-16-14-22-20(23)9-7-8-19(24)17-10-12-18(21)13-11-17;/h10-14,16H,2-9,15H2,1H3;1H