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

Systemtic Name: 4-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]benzenecarbonitrile Openeye Name: 4-[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]benzonitrile CAS Name: 4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]benzonitrile IUPAC Name: 4-[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]benzonitrile Traditional Name: 4-[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazino]benzonitrile Formula: C17H15ClF3N4+ MolecularWeight: 367.77601

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)C#N)C3=C(C=C(C=[NH+]3)C(F)(F)F)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)C#N)C3=C(C=C(C=[NH+]3)C(F)(F)F)Cl

InChI

InChI=1S/C17H14ClF3N4/c18-15-9-13(17(19,20)21)11-23-16(15)25-7-5-24(6-8-25)14-3-1-12(10-22)2-4-14/h1-4,9,11H,5-8H2/p+1