(3-fluorophenyl)methyl-methyl-[(2S)-1-oxidanylidene-1-[(4-propan-2-ylphenyl)amino]propan-2-yl]azanium

Systemtic Name: (3-fluorophenyl)methyl-methyl-[(2S)-1-oxidanylidene-1-[(4-propan-2-ylphenyl)amino]propan-2-yl]azanium Openeye Name: (3-fluorophenyl)methyl-[(1S)-2-(4-isopropylanilino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: (3-fluorophenyl)methyl-methyl-[(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]ammonium IUPAC Name: (3-fluorophenyl)methyl-methyl-[(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]azanium Traditional Name: [(1S)-2-cumidino-2-keto-1-methyl-ethyl]-(3-fluorobenzyl)-methyl-ammonium Formula: C20H26FN2O+ MolecularWeight: 329.431643

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=O)C(C)[NH+](C)CC2=CC(=CC=C2)F

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C(C)C)[NH+](C)CC2=CC(=CC=C2)F

InChI

InChI=1S/C20H25FN2O/c1-14(2)17-8-10-19(11-9-17)22-20(24)15(3)23(4)13-16-6-5-7-18(21)12-16/h5-12,14-15H,13H2,1-4H3,(H,22,24)/p+1/t15-/m0/s1