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

Systemtic Name: 4-[2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]pyrrol-1-yl]benzenecarbonitrile Openeye Name: 4-[2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]pyrrol-1-yl]benzonitrile CAS Name: 4-[2-[[4-(2-fluorophenyl)-1-piperazin-1-iumyl]methyl]-1-pyrrolyl]benzonitrile IUPAC Name: 4-[2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]pyrrol-1-yl]benzonitrile Traditional Name: 4-[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=C(C=C3)C#N)C4=CC=CC=C4F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CN2C3=CC=C(C=C3)C#N)C4=CC=CC=C4F

InChI

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