3-(2-methylbutyl)-2-(trifluoromethyl)-1H-benzimidazol-3-ium

Systemtic Name: 3-(2-methylbutyl)-2-(trifluoromethyl)-1H-benzimidazol-3-ium Openeye Name: 3-(2-methylbutyl)-2-(trifluoromethyl)-1H-benzimidazol-3-ium CAS Name: 3-(2-methylbutyl)-2-(trifluoromethyl)-1H-benzimidazol-3-ium IUPAC Name: 3-(2-methylbutyl)-2-(trifluoromethyl)-1H-benzimidazol-3-ium Traditional Name: 3-(2-methylbutyl)-2-(trifluoromethyl)-1H-benzimidazol-3-ium Formula: C13H16F3N2+ MolecularWeight: 257.27475

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C[N+]1=C(NC2=CC=CC=C21)C(F)(F)F

Isomeric SMILES

CCC(C)C[N+]1=C(NC2=CC=CC=C21)C(F)(F)F

InChI

InChI=1S/C13H15F3N2/c1-3-9(2)8-18-11-7-5-4-6-10(11)17-12(18)13(14,15)16/h4-7,9H,3,8H2,1-2H3/p+1