2-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]-5-nitro-benzonitrile CAS Name: 2-[4-[(2-fluorophenyl)methyl]-1-piperazin-4-iumyl]-5-nitrobenzonitrile IUPAC Name: 2-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]-5-nitrobenzonitrile Traditional Name: 2-[4-(2-fluorobenzyl)piperazin-4-ium-1-yl]-5-nitro-benzonitrile Formula: C18H18FN4O2+ MolecularWeight: 341.359523

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2F)C3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2F)C3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C18H17FN4O2/c19-17-4-2-1-3-14(17)13-21-7-9-22(10-8-21)18-6-5-16(23(24)25)11-15(18)12-20/h1-6,11H,7-10,13H2/p+1