2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethanenitrile

Systemtic Name: 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethanenitrile Openeye Name: 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetonitrile CAS Name: 2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]acetonitrile IUPAC Name: 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetonitrile Traditional Name: 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetonitrile Formula: C12H15FN3+ MolecularWeight: 220.266003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14FN3/c13-11-1-3-12(4-2-11)16-9-7-15(6-5-14)8-10-16/h1-4H,6-10H2/p+1