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

Systemtic Name: (2S)-2-piperazin-4-ium-1-yl-2-[3-(trifluoromethyl)phenyl]propanenitrile Openeye Name: (2S)-2-piperazin-4-ium-1-yl-2-[3-(trifluoromethyl)phenyl]propanenitrile CAS Name: (2S)-2-(1-piperazin-4-iumyl)-2-[3-(trifluoromethyl)phenyl]propanenitrile IUPAC Name: (2S)-2-piperazin-4-ium-1-yl-2-[3-(trifluoromethyl)phenyl]propanenitrile Traditional Name: (2S)-2-piperazin-4-ium-1-yl-2-[3-(trifluoromethyl)phenyl]propionitrile Formula: C14H17F3N3+ MolecularWeight: 284.30009

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1=CC(=CC=C1)C(F)(F)F)N2CC[NH2+]CC2

Isomeric SMILES

C[C@@](C#N)(C1=CC(=CC=C1)C(F)(F)F)N2CC[NH2+]CC2

InChI

InChI=1S/C14H16F3N3/c1-13(10-18,20-7-5-19-6-8-20)11-3-2-4-12(9-11)14(15,16)17/h2-4,9,19H,5-8H2,1H3/p+1/t13-/m1/s1