[(1S)-2-azaniumyl-1-[3-(trifluoromethyl)phenyl]ethyl]-methyl-propan-2-yl-azanium

Systemtic Name: [(1S)-2-azaniumyl-1-[3-(trifluoromethyl)phenyl]ethyl]-methyl-propan-2-yl-azanium Openeye Name: [(1S)-2-azaniumyl-1-[3-(trifluoromethyl)phenyl]ethyl]-isopropyl-methyl-ammonium CAS Name: [(1S)-2-ammonio-1-[3-(trifluoromethyl)phenyl]ethyl]-methyl-propan-2-ylammonium IUPAC Name: [(1S)-2-azaniumyl-1-[3-(trifluoromethyl)phenyl]ethyl]-methyl-propan-2-ylazanium Traditional Name: [(1S)-2-ammonio-1-[3-(trifluoromethyl)phenyl]ethyl]-isopropyl-methyl-ammonium Formula: C13H21F3N2+2 MolecularWeight: 262.31445

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19F3N2/c1-9(2)18(3)12(8-17)10-5-4-6-11(7-10)13(14,15)16/h4-7,9,12H,8,17H2,1-3H3/p+2/t12-/m1/s1