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

Systemtic Name: (2R)-2-phenyl-2-[4-[4-(trifluoromethyl)phenyl]carbonylpiperazin-1-ium-1-yl]ethanenitrile Openeye Name: (2R)-2-phenyl-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-ium-1-yl]acetonitrile CAS Name: (2R)-2-[4-[oxo-[4-(trifluoromethyl)phenyl]methyl]-1-piperazin-1-iumyl]-2-phenylacetonitrile IUPAC Name: (2R)-2-phenyl-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-ium-1-yl]acetonitrile Traditional Name: (2R)-2-phenyl-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-ium-1-yl]acetonitrile Formula: C20H19F3N3O+ MolecularWeight: 374.37957

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C#N)C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1[C@@H](C#N)C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C20H18F3N3O/c21-20(22,23)17-8-6-16(7-9-17)19(27)26-12-10-25(11-13-26)18(14-24)15-4-2-1-3-5-15/h1-9,18H,10-13H2/p+1/t18-/m0/s1