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

Systemtic Name: 3-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 3-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 3-[[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 3-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 3-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazino]sulfonylbenzonitrile Formula: C17H16F3N4O2S+ MolecularWeight: 397.39475

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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