[(1S)-2-azaniumyl-1-[3-(trifluoromethyl)phenyl]ethyl]-diethyl-azanium

Systemtic Name: [(1S)-2-azaniumyl-1-[3-(trifluoromethyl)phenyl]ethyl]-diethyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-[3-(trifluoromethyl)phenyl]ethyl]-diethyl-ammonium CAS Name: [(1S)-2-ammonio-1-[3-(trifluoromethyl)phenyl]ethyl]-diethylammonium IUPAC Name: [(1S)-2-azaniumyl-1-[3-(trifluoromethyl)phenyl]ethyl]-diethylazanium Traditional Name: [(1S)-2-ammonio-1-[3-(trifluoromethyl)phenyl]ethyl]-diethyl-ammonium Formula: C13H21F3N2+2 MolecularWeight: 262.31445

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(C[NH3+])C1=CC(=CC=C1)C(F)(F)F

Isomeric SMILES

CC[NH+](CC)[C@H](C[NH3+])C1=CC(=CC=C1)C(F)(F)F

InChI

InChI=1S/C13H19F3N2/c1-3-18(4-2)12(9-17)10-6-5-7-11(8-10)13(14,15)16/h5-8,12H,3-4,9,17H2,1-2H3/p+2/t12-/m1/s1