3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propanenitrile

Systemtic Name: 3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propanenitrile Openeye Name: 3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propanenitrile CAS Name: 3-[4-[3-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]propanenitrile IUPAC Name: 3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propanenitrile Traditional Name: 3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propionitrile Formula: C14H17F3N3+ MolecularWeight: 284.30009

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16F3N3/c15-14(16,17)12-3-1-4-13(11-12)20-9-7-19(8-10-20)6-2-5-18/h1,3-4,11H,2,6-10H2/p+1