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

Systemtic Name: 3-[(1R)-5-cyano-1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]propyl-methyl-azanium Openeye Name: 3-[(1R)-5-cyano-1-(4-fluorophenyl)-3H-isobenzofuran-1-yl]propyl-methyl-ammonium CAS Name: 3-[(1R)-5-cyano-1-(4-fluorophenyl)-3H-isobenzofuran-1-yl]propyl-methylammonium IUPAC Name: 3-[(1R)-5-cyano-1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]propyl-methylazanium Traditional Name: 3-[(1R)-5-cyano-1-(4-fluorophenyl)phthalan-1-yl]propyl-methyl-ammonium Formula: C19H20FN2O+ MolecularWeight: 311.373303

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F

Isomeric SMILES

C[NH2+]CCC[C@]1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H19FN2O/c1-22-10-2-9-19(16-4-6-17(20)7-5-16)18-8-3-14(12-21)11-15(18)13-23-19/h3-8,11,22H,2,9-10,13H2,1H3/p+1/t19-/m1/s1