3-[4-[2,5-bis(fluoranyl)phenyl]sulfonylpiperazin-1-ium-1-yl]propanenitrile

Systemtic Name: 3-[4-[2,5-bis(fluoranyl)phenyl]sulfonylpiperazin-1-ium-1-yl]propanenitrile Openeye Name: 3-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-ium-1-yl]propanenitrile CAS Name: 3-[4-(2,5-difluorophenyl)sulfonyl-1-piperazin-1-iumyl]propanenitrile IUPAC Name: 3-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-ium-1-yl]propanenitrile Traditional Name: 3-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-ium-1-yl]propionitrile Formula: C13H16F2N3O2S+ MolecularWeight: 316.346846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15F2N3O2S/c14-11-2-3-12(15)13(10-11)21(19,20)18-8-6-17(7-9-18)5-1-4-16/h2-3,10H,1,5-9H2/p+1