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

Systemtic Name: [(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]-[(3-fluoranyl-4-methoxy-phenyl)methyl]azanium Openeye Name: [(1S)-2-amino-1-benzyl-2-oxo-ethyl]-[(3-fluoro-4-methoxy-phenyl)methyl]ammonium CAS Name: [(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-[(3-fluoro-4-methoxyphenyl)methyl]ammonium IUPAC Name: [(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-[(3-fluoro-4-methoxyphenyl)methyl]azanium Traditional Name: [(1S)-2-amino-1-benzyl-2-keto-ethyl]-(3-fluoro-4-methoxy-benzyl)ammonium Formula: C17H20FN2O2+ MolecularWeight: 303.351303

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH2+]C(CC2=CC=CC=C2)C(=O)N)F

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH2+][C@@H](CC2=CC=CC=C2)C(=O)N)F

InChI

InChI=1S/C17H19FN2O2/c1-22-16-8-7-13(9-14(16)18)11-20-15(17(19)21)10-12-5-3-2-4-6-12/h2-9,15,20H,10-11H2,1H3,(H2,19,21)/p+1/t15-/m0/s1