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

Systemtic Name: (2R)-2-piperazin-4-ium-1-yl-2-[2-(trifluoromethyloxy)phenyl]ethanenitrile Openeye Name: (2R)-2-piperazin-4-ium-1-yl-2-[2-(trifluoromethoxy)phenyl]acetonitrile CAS Name: (2R)-2-(1-piperazin-4-iumyl)-2-[2-(trifluoromethoxy)phenyl]acetonitrile IUPAC Name: (2R)-2-piperazin-4-ium-1-yl-2-[2-(trifluoromethoxy)phenyl]acetonitrile Traditional Name: (2R)-2-piperazin-4-ium-1-yl-2-[2-(trifluoromethoxy)phenyl]acetonitrile Formula: C13H15F3N3O+ MolecularWeight: 286.27291

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C(C#N)C2=CC=CC=C2OC(F)(F)F

Isomeric SMILES

C1CN(CC[NH2+]1)[C@@H](C#N)C2=CC=CC=C2OC(F)(F)F

InChI

InChI=1S/C13H14F3N3O/c14-13(15,16)20-12-4-2-1-3-10(12)11(9-17)19-7-5-18-6-8-19/h1-4,11,18H,5-8H2/p+1/t11-/m0/s1