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

Systemtic Name: 3-[5-cyano-1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]propyl-dimethyl-azanium bromide Openeye Name: 3-[5-cyano-1-(4-fluorophenyl)-3H-isobenzofuran-1-yl]propyl-dimethyl-ammonium bromide CAS Name: 3-[5-cyano-1-(4-fluorophenyl)-3H-isobenzofuran-1-yl]propyl-dimethylammonium bromide IUPAC Name: 3-[5-cyano-1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]propyl-dimethylazanium bromide Traditional Name: 3-[5-cyano-1-(4-fluorophenyl)phthalan-1-yl]propyl-dimethyl-ammonium bromide Formula: C20H22BrFN2O MolecularWeight: 405.303883

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F.[Br-]

Isomeric SMILES

C[NH+](C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F.[Br-]

InChI

InChI=1S/C20H21FN2O.BrH/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20;/h4-9,12H,3,10-11,14H2,1-2H3;1H