2-[2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]pyrrol-1-yl]benzenecarbonitrile

Systemtic Name: 2-[2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]pyrrol-1-yl]benzenecarbonitrile Openeye Name: 2-[2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]pyrrol-1-yl]benzonitrile CAS Name: 2-[2-[[4-(2-fluorophenyl)-1-piperazin-1-iumyl]methyl]-1-pyrrolyl]benzonitrile IUPAC Name: 2-[2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]pyrrol-1-yl]benzonitrile Traditional Name: 2-[2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]pyrrol-1-yl]benzonitrile Formula: C22H22FN4+ MolecularWeight: 361.435283

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CN2C3=CC=CC=C3C#N)C4=CC=CC=C4F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CN2C3=CC=CC=C3C#N)C4=CC=CC=C4F

InChI

InChI=1S/C22H21FN4/c23-20-8-2-4-10-22(20)26-14-12-25(13-15-26)17-19-7-5-11-27(19)21-9-3-1-6-18(21)16-24/h1-11H,12-15,17H2/p+1