6-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyridin-1-ium-3-carbonitrile

Systemtic Name: 6-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyridin-1-ium-3-carbonitrile Openeye Name: 6-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyridin-1-ium-3-carbonitrile CAS Name: 6-[4-[3-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]-3-pyridin-1-iumcarbonitrile IUPAC Name: 6-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyridin-1-ium-3-carbonitrile Traditional Name: 6-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazino]pyridin-1-ium-3-carbonitrile Formula: C17H16F3N4O2S+ MolecularWeight: 397.39475

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=[NH+]C=C(C=C2)C#N)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1CN(CCN1C2=[NH+]C=C(C=C2)C#N)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C17H15F3N4O2S/c18-17(19,20)14-2-1-3-15(10-14)27(25,26)24-8-6-23(7-9-24)16-5-4-13(11-21)12-22-16/h1-5,10,12H,6-9H2/p+1