3-[(1R)-5-cyano-1-(4-fluorophenyl)-3-oxidanylidene-2-benzofuran-1-yl]propyl-dimethyl-azanium

Systemtic Name: 3-[(1R)-5-cyano-1-(4-fluorophenyl)-3-oxidanylidene-2-benzofuran-1-yl]propyl-dimethyl-azanium Openeye Name: 3-[(1R)-5-cyano-1-(4-fluorophenyl)-3-oxo-isobenzofuran-1-yl]propyl-dimethyl-ammonium CAS Name: 3-[(1R)-5-cyano-1-(4-fluorophenyl)-3-oxo-1-isobenzofuranyl]propyl-dimethylammonium IUPAC Name: 3-[(1R)-5-cyano-1-(4-fluorophenyl)-3-oxo-2-benzofuran-1-yl]propyl-dimethylazanium Traditional Name: 3-[(1R)-5-cyano-1-(4-fluorophenyl)-3-keto-phthalan-1-yl]propyl-dimethyl-ammonium Formula: C20H20FN2O2+ MolecularWeight: 339.383403

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCC1(C2=C(C=C(C=C2)C#N)C(=O)O1)C3=CC=C(C=C3)F

Isomeric SMILES

C[NH+](C)CCC[C@]1(C2=C(C=C(C=C2)C#N)C(=O)O1)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H19FN2O2/c1-23(2)11-3-10-20(15-5-7-16(21)8-6-15)18-9-4-14(13-22)12-17(18)19(24)25-20/h4-9,12H,3,10-11H2,1-2H3/p+1/t20-/m1/s1