1-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-2-(phenoxymethyl)benzimidazole

Systemtic Name: 1-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-2-(phenoxymethyl)benzimidazole Openeye Name: 1-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-2-(phenoxymethyl)benzimidazole CAS Name: 1-[[4-(2-fluorophenyl)-1-piperazin-1-iumyl]methyl]-2-(phenoxymethyl)benzimidazole IUPAC Name: 1-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-2-(phenoxymethyl)benzimidazole Traditional Name: 1-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-2-(phenoxymethyl)benzimidazole Formula: C25H26FN4O+ MolecularWeight: 417.498543

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C3=CC=CC=C3N=C2COC4=CC=CC=C4)C5=CC=CC=C5F

Isomeric SMILES

C1CN(CC[NH+]1CN2C3=CC=CC=C3N=C2COC4=CC=CC=C4)C5=CC=CC=C5F

InChI

InChI=1S/C25H25FN4O/c26-21-10-4-6-12-23(21)29-16-14-28(15-17-29)19-30-24-13-7-5-11-22(24)27-25(30)18-31-20-8-2-1-3-9-20/h1-13H,14-19H2/p+1