3-fluoranyl-4-[(4-oxidanylpiperidin-1-ium-1-yl)methyl]benzenecarbonitrile

Systemtic Name: 3-fluoranyl-4-[(4-oxidanylpiperidin-1-ium-1-yl)methyl]benzenecarbonitrile Openeye Name: 3-fluoro-4-[(4-hydroxypiperidin-1-ium-1-yl)methyl]benzonitrile CAS Name: 3-fluoro-4-[(4-hydroxy-1-piperidin-1-iumyl)methyl]benzonitrile IUPAC Name: 3-fluoro-4-[(4-hydroxypiperidin-1-ium-1-yl)methyl]benzonitrile Traditional Name: 3-fluoro-4-[(4-hydroxypiperidin-1-ium-1-yl)methyl]benzonitrile Formula: C13H16FN2O+ MolecularWeight: 235.277343

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1O)CC2=C(C=C(C=C2)C#N)F

Isomeric SMILES

C1C[NH+](CCC1O)CC2=C(C=C(C=C2)C#N)F

InChI

InChI=1S/C13H15FN2O/c14-13-7-10(8-15)1-2-11(13)9-16-5-3-12(17)4-6-16/h1-2,7,12,17H,3-6,9H2/p+1