3-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propanenitrile

Systemtic Name: 3-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propanenitrile Openeye Name: 3-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propanenitrile CAS Name: 3-[4-(4-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]propanenitrile IUPAC Name: 3-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propanenitrile Traditional Name: 3-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propionitrile Formula: C13H17FN3O2S+ MolecularWeight: 298.356383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16FN3O2S/c14-12-2-4-13(5-3-12)20(18,19)17-10-8-16(9-11-17)7-1-6-15/h2-5H,1,7-11H2/p+1