2-methyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propanenitrile

Systemtic Name: 2-methyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propanenitrile Openeye Name: 2-methyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propanenitrile CAS Name: 2-methyl-2-[4-[3-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]propanenitrile IUPAC Name: 2-methyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propanenitrile Traditional Name: 2-methyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propionitrile Formula: C15H19F3N3+ MolecularWeight: 298.32667

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#N)[NH+]1CCN(CC1)C2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

CC(C)(C#N)[NH+]1CCN(CC1)C2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C15H18F3N3/c1-14(2,11-19)21-8-6-20(7-9-21)13-5-3-4-12(10-13)15(16,17)18/h3-5,10H,6-9H2,1-2H3/p+1