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

Systemtic Name: 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanenitrile Openeye Name: 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetonitrile CAS Name: 2-[4-(2-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]acetonitrile IUPAC Name: 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetonitrile Traditional Name: 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetonitrile Formula: C12H15FN3O2S+ MolecularWeight: 284.329803

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC#N)S(=O)(=O)C2=CC=CC=C2F

Isomeric SMILES

C1CN(CC[NH+]1CC#N)S(=O)(=O)C2=CC=CC=C2F

InChI

InChI=1S/C12H14FN3O2S/c13-11-3-1-2-4-12(11)19(17,18)16-9-7-15(6-5-14)8-10-16/h1-4H,6-10H2/p+1