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

Systemtic Name: (2R)-2-piperidin-1-ium-1-yl-2-[2-(trifluoromethyl)phenyl]ethanenitrile Openeye Name: (2R)-2-piperidin-1-ium-1-yl-2-[2-(trifluoromethyl)phenyl]acetonitrile CAS Name: (2R)-2-(1-piperidin-1-iumyl)-2-[2-(trifluoromethyl)phenyl]acetonitrile IUPAC Name: (2R)-2-piperidin-1-ium-1-yl-2-[2-(trifluoromethyl)phenyl]acetonitrile Traditional Name: (2R)-2-piperidin-1-ium-1-yl-2-[2-(trifluoromethyl)phenyl]acetonitrile Formula: C14H16F3N2+ MolecularWeight: 269.28545

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(C#N)C2=CC=CC=C2C(F)(F)F

Isomeric SMILES

C1CC[NH+](CC1)[C@@H](C#N)C2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C14H15F3N2/c15-14(16,17)12-7-3-2-6-11(12)13(10-18)19-8-4-1-5-9-19/h2-3,6-7,13H,1,4-5,8-9H2/p+1/t13-/m0/s1