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

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl-methyl-[(2S)-1-oxidanylidene-1-[(4-propan-2-ylphenyl)amino]propan-2-yl]azanium Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl-[(1S)-2-(4-isopropylanilino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: (3-fluoro-4-methoxyphenyl)methyl-methyl-[(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]ammonium IUPAC Name: (3-fluoro-4-methoxyphenyl)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-fluoro-4-methoxy-benzyl)-methyl-ammonium Formula: C21H28FN2O2+ MolecularWeight: 359.457623

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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(=C(C=C2)OC)F

Isomeric SMILES

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

InChI

InChI=1S/C21H27FN2O2/c1-14(2)17-7-9-18(10-8-17)23-21(25)15(3)24(4)13-16-6-11-20(26-5)19(22)12-16/h6-12,14-15H,13H2,1-5H3,(H,23,25)/p+1/t15-/m0/s1