3H-benzimidazol-5-yl-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: 3H-benzimidazol-5-yl-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: 3H-benzimidazol-5-yl-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: 3H-benzimidazol-5-yl-[4-[bis(4-fluorophenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: 3H-benzimidazol-5-yl-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: 3H-benzimidazol-5-yl-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]methanone Formula: C25H23F2N4O+ MolecularWeight: 433.473126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C(=O)C4=CC5=C(C=C4)N=CN5

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C(=O)C4=CC5=C(C=C4)N=CN5

InChI

InChI=1S/C25H22F2N4O/c26-20-6-1-17(2-7-20)24(18-3-8-21(27)9-4-18)30-11-13-31(14-12-30)25(32)19-5-10-22-23(15-19)29-16-28-22/h1-10,15-16,24H,11-14H2,(H,28,29)/p+1