4-[[4-[2-[(4-fluorophenyl)amino]phenyl]carbonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[2-[(4-fluorophenyl)amino]phenyl]carbonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(4-fluoroanilino)benzoyl]piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[2-(4-fluoroanilino)phenyl]-oxomethyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-(4-fluoroanilino)benzoyl]piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-(4-fluoroanilino)benzoyl]piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C25H24FN4O+ MolecularWeight: 415.482663

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=O)C3=CC=CC=C3NC4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=O)C3=CC=CC=C3NC4=CC=C(C=C4)F

InChI

InChI=1S/C25H23FN4O/c26-21-9-11-22(12-10-21)28-24-4-2-1-3-23(24)25(31)30-15-13-29(14-16-30)18-20-7-5-19(17-27)6-8-20/h1-12,28H,13-16,18H2/p+1