2-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-6-fluoranyl-benzenecarbonitrile

Systemtic Name: 2-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-6-fluoranyl-benzenecarbonitrile Openeye Name: 2-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-6-fluoro-benzonitrile CAS Name: 2-[4-[bis(4-fluorophenyl)methyl]-1-piperazin-4-iumyl]-6-fluorobenzonitrile IUPAC Name: 2-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-6-fluorobenzonitrile Traditional Name: 2-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-6-fluoro-benzonitrile Formula: C24H21F3N3+ MolecularWeight: 408.43885

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H20F3N3/c25-19-8-4-17(5-9-19)24(18-6-10-20(26)11-7-18)30-14-12-29(13-15-30)23-3-1-2-22(27)21(23)16-28/h1-11,24H,12-15H2/p+1