dimethyl-[(1S)-2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]-1-phenyl-ethyl]azanium

Systemtic Name: dimethyl-[(1S)-2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]-1-phenyl-ethyl]azanium Openeye Name: dimethyl-[(1S)-2-[2-nitro-4-(trifluoromethyl)anilino]-1-phenyl-ethyl]ammonium CAS Name: dimethyl-[(1S)-2-[2-nitro-4-(trifluoromethyl)anilino]-1-phenylethyl]ammonium IUPAC Name: dimethyl-[(1S)-2-[2-nitro-4-(trifluoromethyl)anilino]-1-phenylethyl]azanium Traditional Name: dimethyl-[(1S)-2-[2-nitro-4-(trifluoromethyl)anilino]-1-phenyl-ethyl]ammonium Formula: C17H19F3N3O2+ MolecularWeight: 354.34687

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-])C2=CC=CC=C2

Isomeric SMILES

C[NH+](C)[C@H](CNC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C17H18F3N3O2/c1-22(2)16(12-6-4-3-5-7-12)11-21-14-9-8-13(17(18,19)20)10-15(14)23(24)25/h3-10,16,21H,11H2,1-2H3/p+1/t16-/m1/s1