[(S)-cyano-[2-(trifluoromethyl)phenyl]methyl]-diethyl-azanium

Systemtic Name: [(S)-cyano-[2-(trifluoromethyl)phenyl]methyl]-diethyl-azanium Openeye Name: [(S)-cyano-[2-(trifluoromethyl)phenyl]methyl]-diethyl-ammonium CAS Name: [(S)-cyano-[2-(trifluoromethyl)phenyl]methyl]-diethylammonium IUPAC Name: [(S)-cyano-[2-(trifluoromethyl)phenyl]methyl]-diethylazanium Traditional Name: [(S)-cyano-[2-(trifluoromethyl)phenyl]methyl]-diethyl-ammonium Formula: C13H16F3N2+ MolecularWeight: 257.27475

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(C#N)C1=CC=CC=C1C(F)(F)F

Isomeric SMILES

CC[NH+](CC)[C@H](C#N)C1=CC=CC=C1C(F)(F)F

InChI

InChI=1S/C13H15F3N2/c1-3-18(4-2)12(9-17)10-7-5-6-8-11(10)13(14,15)16/h5-8,12H,3-4H2,1-2H3/p+1/t12-/m1/s1