(4-bromophenyl)-[3-hexyl-5-oxidanyl-5-(trifluoromethyl)-4H-imidazol-3-ium-1-yl]methanone

Systemtic Name: (4-bromophenyl)-[3-hexyl-5-oxidanyl-5-(trifluoromethyl)-4H-imidazol-3-ium-1-yl]methanone Openeye Name: (4-bromophenyl)-[3-hexyl-5-hydroxy-5-(trifluoromethyl)-4H-imidazol-3-ium-1-yl]methanone CAS Name: (4-bromophenyl)-[3-hexyl-5-hydroxy-5-(trifluoromethyl)-4H-imidazol-3-ium-1-yl]methanone IUPAC Name: (4-bromophenyl)-[3-hexyl-5-hydroxy-5-(trifluoromethyl)-4H-imidazol-3-ium-1-yl]methanone Traditional Name: (4-bromophenyl)-[3-hexyl-5-hydroxy-5-(trifluoromethyl)-2-imidazolin-3-ium-1-yl]methanone Formula: C17H21BrF3N2O2+ MolecularWeight: 422.26005

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+]1=CN(C(C1)(C(F)(F)F)O)C(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CCCCCC[N+]1=CN(C(C1)(C(F)(F)F)O)C(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C17H21BrF3N2O2/c1-2-3-4-5-10-22-11-16(25,17(19,20)21)23(12-22)15(24)13-6-8-14(18)9-7-13/h6-9,12,25H,2-5,10-11H2,1H3/q+1