(5-cyano-2-fluoranyl-phenyl)methyl-[(3S)-2-oxidanylideneoxolan-3-yl]azanium

Systemtic Name: (5-cyano-2-fluoranyl-phenyl)methyl-[(3S)-2-oxidanylideneoxolan-3-yl]azanium Openeye Name: (5-cyano-2-fluoro-phenyl)methyl-[(3S)-2-oxotetrahydrofuran-3-yl]ammonium CAS Name: (5-cyano-2-fluorophenyl)methyl-[(3S)-2-oxo-3-oxolanyl]ammonium IUPAC Name: (5-cyano-2-fluorophenyl)methyl-[(3S)-2-oxooxolan-3-yl]azanium Traditional Name: (5-cyano-2-fluoro-benzyl)-[(3S)-2-ketotetrahydrofuran-3-yl]ammonium Formula: C12H12FN2O2+ MolecularWeight: 235.234283

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(=O)C1[NH2+]CC2=C(C=CC(=C2)C#N)F

Isomeric SMILES

C1COC(=O)[C@H]1[NH2+]CC2=C(C=CC(=C2)C#N)F

InChI

InChI=1S/C12H11FN2O2/c13-10-2-1-8(6-14)5-9(10)7-15-11-3-4-17-12(11)16/h1-2,5,11,15H,3-4,7H2/p+1/t11-/m0/s1