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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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