3-[[4-[(4-cyanophenyl)methyl]piperazin-1-ium-1-yl]methyl]-4-fluoranyl-benzenecarbonitrile

Systemtic Name: 3-[[4-[(4-cyanophenyl)methyl]piperazin-1-ium-1-yl]methyl]-4-fluoranyl-benzenecarbonitrile Openeye Name: 3-[[4-[(4-cyanophenyl)methyl]piperazin-1-ium-1-yl]methyl]-4-fluoro-benzonitrile CAS Name: 3-[[4-[(4-cyanophenyl)methyl]-1-piperazin-1-iumyl]methyl]-4-fluorobenzonitrile IUPAC Name: 3-[[4-[(4-cyanophenyl)methyl]piperazin-1-ium-1-yl]methyl]-4-fluorobenzonitrile Traditional Name: 3-[[4-(4-cyanobenzyl)piperazin-1-ium-1-yl]methyl]-4-fluoro-benzonitrile Formula: C20H20FN4+ MolecularWeight: 335.398003

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=CC(=C2)C#N)F)CC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=CC(=C2)C#N)F)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H19FN4/c21-20-6-5-18(13-23)11-19(20)15-25-9-7-24(8-10-25)14-17-3-1-16(12-22)2-4-17/h1-6,11H,7-10,14-15H2/p+1