3-[(1S)-5-cyano-1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]propylazanium

Systemtic Name: 3-[(1S)-5-cyano-1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]propylazanium Openeye Name: 3-[(1S)-5-cyano-1-(4-fluorophenyl)-3H-isobenzofuran-1-yl]propylammonium CAS Name: 3-[(1S)-5-cyano-1-(4-fluorophenyl)-3H-isobenzofuran-1-yl]propylammonium IUPAC Name: 3-[(1S)-5-cyano-1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]propylazanium Traditional Name: 3-[(1S)-5-cyano-1-(4-fluorophenyl)phthalan-1-yl]propylammonium Formula: C18H18FN2O+ MolecularWeight: 297.346723

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)C#N)C(O1)(CCC[NH3+])C3=CC=C(C=C3)F

Isomeric SMILES

C1C2=C(C=CC(=C2)C#N)[C@](O1)(CCC[NH3+])C3=CC=C(C=C3)F

InChI

InChI=1S/C18H17FN2O/c19-16-5-3-15(4-6-16)18(8-1-9-20)17-7-2-13(11-21)10-14(17)12-22-18/h2-7,10H,1,8-9,12,20H2/p+1/t18-/m0/s1