2-[4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]ethanenitrile

Systemtic Name: 2-[4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]ethanenitrile Openeye Name: 2-[4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]acetonitrile CAS Name: 2-[4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]-1-piperidin-1-iumyl]acetonitrile IUPAC Name: 2-[4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]acetonitrile Traditional Name: 2-[4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]acetonitrile Formula: C17H18F3N4+ MolecularWeight: 335.34683

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=CC(=NN2)C3=CC(=CC=C3)C(F)(F)F)CC#N

Isomeric SMILES

C1C[NH+](CCC1C2=CC(=NN2)C3=CC(=CC=C3)C(F)(F)F)CC#N

InChI

InChI=1S/C17H17F3N4/c18-17(19,20)14-3-1-2-13(10-14)16-11-15(22-23-16)12-4-7-24(8-5-12)9-6-21/h1-3,10-12H,4-5,7-9H2,(H,22,23)/p+1