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

Systemtic Name: 3-(1H-benzimidazol-2-ylmethyl)-2-(trifluoromethyl)-1H-benzimidazol-3-ium Openeye Name: 3-(1H-benzimidazol-2-ylmethyl)-2-(trifluoromethyl)-1H-benzimidazol-3-ium CAS Name: 3-(1H-benzimidazol-2-ylmethyl)-2-(trifluoromethyl)-1H-benzimidazol-3-ium IUPAC Name: 3-(1H-benzimidazol-2-ylmethyl)-2-(trifluoromethyl)-1H-benzimidazol-3-ium Traditional Name: 3-(1H-benzimidazol-2-ylmethyl)-2-(trifluoromethyl)-1H-benzimidazol-3-ium Formula: C16H12F3N4+ MolecularWeight: 317.28849

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)C[N+]3=C(NC4=CC=CC=C43)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)C[N+]3=C(NC4=CC=CC=C43)C(F)(F)F

InChI

InChI=1S/C16H11F3N4/c17-16(18,19)15-22-12-7-3-4-8-13(12)23(15)9-14-20-10-5-1-2-6-11(10)21-14/h1-8H,9H2,(H,20,21)/p+1