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

Systemtic Name: 3-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)piperidin-1-ium-1-yl]methyl]-4-fluoranyl-benzenecarbonitrile Openeye Name: 3-[[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-ium-1-yl]methyl]-4-fluoro-benzonitrile CAS Name: 3-[[4-[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]-1-piperidin-1-iumyl]methyl]-4-fluorobenzonitrile IUPAC Name: 3-[[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-ium-1-yl]methyl]-4-fluorobenzonitrile Traditional Name: 3-[[4-(2,3-dihydro-1,4-benzodioxin-6-carbonyl)piperidin-1-ium-1-yl]methyl]-4-fluoro-benzonitrile Formula: C22H22FN2O3+ MolecularWeight: 381.420083

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)C2=CC3=C(C=C2)OCCO3)CC4=C(C=CC(=C4)C#N)F

Isomeric SMILES

C1C[NH+](CCC1C(=O)C2=CC3=C(C=C2)OCCO3)CC4=C(C=CC(=C4)C#N)F

InChI

InChI=1S/C22H21FN2O3/c23-19-3-1-15(13-24)11-18(19)14-25-7-5-16(6-8-25)22(26)17-2-4-20-21(12-17)28-10-9-27-20/h1-4,11-12,16H,5-10,14H2/p+1