2-(4-fluorophenyl)ethyl-[(2S)-4-oxidanylidene-4-[(2-propan-2-ylphenyl)amino]butan-2-yl]azanium

Systemtic Name: 2-(4-fluorophenyl)ethyl-[(2S)-4-oxidanylidene-4-[(2-propan-2-ylphenyl)amino]butan-2-yl]azanium Openeye Name: 2-(4-fluorophenyl)ethyl-[(1S)-3-(2-isopropylanilino)-1-methyl-3-oxo-propyl]ammonium CAS Name: 2-(4-fluorophenyl)ethyl-[(2S)-4-oxo-4-(2-propan-2-ylanilino)butan-2-yl]ammonium IUPAC Name: 2-(4-fluorophenyl)ethyl-[(2S)-4-oxo-4-(2-propan-2-ylanilino)butan-2-yl]azanium Traditional Name: 2-(4-fluorophenyl)ethyl-[(1S)-3-(2-isopropylanilino)-3-keto-1-methyl-propyl]ammonium Formula: C21H28FN2O+ MolecularWeight: 343.458223

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)CC(C)[NH2+]CCC2=CC=C(C=C2)F

Isomeric SMILES

C[C@@H](CC(=O)NC1=CC=CC=C1C(C)C)[NH2+]CCC2=CC=C(C=C2)F

InChI

InChI=1S/C21H27FN2O/c1-15(2)19-6-4-5-7-20(19)24-21(25)14-16(3)23-13-12-17-8-10-18(22)11-9-17/h4-11,15-16,23H,12-14H2,1-3H3,(H,24,25)/p+1/t16-/m0/s1