4-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazino]sulfonylbenzonitrile Formula: C17H15ClF3N4O2S+ MolecularWeight: 431.83981

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=[NH+]2)C(F)(F)F)Cl)S(=O)(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=[NH+]2)C(F)(F)F)Cl)S(=O)(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C17H14ClF3N4O2S/c18-15-9-13(17(19,20)21)11-23-16(15)24-5-7-25(8-6-24)28(26,27)14-3-1-12(10-22)2-4-14/h1-4,9,11H,5-8H2/p+1