(2R)-2-piperazin-4-ium-1-yl-2-[3-(trifluoromethyl)phenyl]ethanenitrile

Systemtic Name: (2R)-2-piperazin-4-ium-1-yl-2-[3-(trifluoromethyl)phenyl]ethanenitrile Openeye Name: (2R)-2-piperazin-4-ium-1-yl-2-[3-(trifluoromethyl)phenyl]acetonitrile CAS Name: (2R)-2-(1-piperazin-4-iumyl)-2-[3-(trifluoromethyl)phenyl]acetonitrile IUPAC Name: (2R)-2-piperazin-4-ium-1-yl-2-[3-(trifluoromethyl)phenyl]acetonitrile Traditional Name: (2R)-2-piperazin-4-ium-1-yl-2-[3-(trifluoromethyl)phenyl]acetonitrile Formula: C13H15F3N3+ MolecularWeight: 270.27351

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C(C#N)C2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH2+]1)[C@@H](C#N)C2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C13H14F3N3/c14-13(15,16)11-3-1-2-10(8-11)12(9-17)19-6-4-18-5-7-19/h1-3,8,12,18H,4-7H2/p+1/t12-/m0/s1