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

Systemtic Name: 3-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]propanenitrile Openeye Name: 3-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]propanenitrile CAS Name: 3-[4-[4-(trifluoromethyl)phenyl]sulfonyl-1-piperazin-1-iumyl]propanenitrile IUPAC Name: 3-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]propanenitrile Traditional Name: 3-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]propionitrile Formula: C14H17F3N3O2S+ MolecularWeight: 348.36389

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16F3N3O2S/c15-14(16,17)12-2-4-13(5-3-12)23(21,22)20-10-8-19(9-11-20)7-1-6-18/h2-5H,1,7-11H2/p+1