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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15F3N2/c1-9(2)7-8-18-11-6-4-3-5-10(11)17-12(18)13(14,15)16/h3-6,9H,7-8H2,1-2H3/p+1