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

Systemtic Name: 4-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]butanenitrile Openeye Name: 4-[4-[3-(trifluoromethyl)-2-pyridyl]piperazin-1-ium-1-yl]butanenitrile CAS Name: 4-[4-[3-(trifluoromethyl)-2-pyridinyl]-1-piperazin-1-iumyl]butanenitrile IUPAC Name: 4-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]butanenitrile Traditional Name: 4-[4-[3-(trifluoromethyl)-2-pyridyl]piperazin-1-ium-1-yl]butyronitrile Formula: C14H18F3N4+ MolecularWeight: 299.31473

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCC#N)C2=C(C=CC=N2)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CCCC#N)C2=C(C=CC=N2)C(F)(F)F

InChI

InChI=1S/C14H17F3N4/c15-14(16,17)12-4-3-6-19-13(12)21-10-8-20(9-11-21)7-2-1-5-18/h3-4,6H,1-2,7-11H2/p+1