methyl-[(1S)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-[2-oxidanylidene-2-[[2,3,4-tris(fluoranyl)phenyl]amino]ethyl]azanium

Systemtic Name: methyl-[(1S)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-[2-oxidanylidene-2-[[2,3,4-tris(fluoranyl)phenyl]amino]ethyl]azanium Openeye Name: methyl-[(1S)-1-[5-(m-tolyl)-1,3,4-oxadiazol-2-yl]ethyl]-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]ammonium CAS Name: methyl-[(1S)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]ammonium IUPAC Name: methyl-[(1S)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium Traditional Name: [2-keto-2-(2,3,4-trifluoroanilino)ethyl]-methyl-[(1S)-1-[5-(m-tolyl)-1,3,4-oxadiazol-2-yl]ethyl]ammonium Formula: C20H20F3N4O2+ MolecularWeight: 405.39361

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(O2)C(C)[NH+](C)CC(=O)NC3=C(C(=C(C=C3)F)F)F

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(O2)[C@H](C)[NH+](C)CC(=O)NC3=C(C(=C(C=C3)F)F)F

InChI

InChI=1S/C20H19F3N4O2/c1-11-5-4-6-13(9-11)20-26-25-19(29-20)12(2)27(3)10-16(28)24-15-8-7-14(21)17(22)18(15)23/h4-9,12H,10H2,1-3H3,(H,24,28)/p+1/t12-/m0/s1