3-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]methyl]-4-fluoranyl-benzenecarbonitrile

Systemtic Name: 3-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]methyl]-4-fluoranyl-benzenecarbonitrile Openeye Name: 3-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]methyl]-4-fluoro-benzonitrile CAS Name: 3-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidin-1-iumyl]methyl]-4-fluorobenzonitrile IUPAC Name: 3-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]methyl]-4-fluorobenzonitrile Traditional Name: 3-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]methyl]-4-fluoro-benzonitrile Formula: C20H20FN2O2+ MolecularWeight: 339.383403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC2=C(C=CC(=C2)C#N)F)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1C[C@H]([NH+](C1)CC2=C(C=CC(=C2)C#N)F)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H19FN2O2/c21-17-5-3-14(12-22)10-16(17)13-23-7-1-2-18(23)15-4-6-19-20(11-15)25-9-8-24-19/h3-6,10-11,18H,1-2,7-9,13H2/p+1/t18-/m0/s1