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

Systemtic Name: 3-[(1S)-5-cyano-1-(3-fluorophenyl)-3H-2-benzofuran-1-yl]propyl-dimethyl-azanium Openeye Name: 3-[(1S)-5-cyano-1-(3-fluorophenyl)-3H-isobenzofuran-1-yl]propyl-dimethyl-ammonium CAS Name: 3-[(1S)-5-cyano-1-(3-fluorophenyl)-3H-isobenzofuran-1-yl]propyl-dimethylammonium IUPAC Name: 3-[(1S)-5-cyano-1-(3-fluorophenyl)-3H-2-benzofuran-1-yl]propyl-dimethylazanium Traditional Name: 3-[(1S)-5-cyano-1-(3-fluorophenyl)phthalan-1-yl]propyl-dimethyl-ammonium Formula: C20H22FN2O+ MolecularWeight: 325.399883

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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(=CC=C3)F

Isomeric SMILES

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

InChI

InChI=1S/C20H21FN2O/c1-23(2)10-4-9-20(17-5-3-6-18(21)12-17)19-8-7-15(13-22)11-16(19)14-24-20/h3,5-8,11-12H,4,9-10,14H2,1-2H3/p+1/t20-/m0/s1