2-[[(S)-cyano-[2-(trifluoromethyl)phenyl]methyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[(S)-cyano-[2-(trifluoromethyl)phenyl]methyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[[(S)-cyano-[2-(trifluoromethyl)phenyl]methyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(S)-cyano-[2-(trifluoromethyl)phenyl]methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(S)-cyano-[2-(trifluoromethyl)phenyl]methyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[(S)-cyano-[2-(trifluoromethyl)phenyl]methyl]amino]ethyl-dimethyl-ammonium Formula: C13H17F3N3+ MolecularWeight: 272.28939

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16F3N3/c1-19(2)8-7-18-12(9-17)10-5-3-4-6-11(10)13(14,15)16/h3-6,12,18H,7-8H2,1-2H3/p+1/t12-/m1/s1