3-[(2-azanylpyridin-1-ium-3-yl)oxymethyl]-4-fluoranyl-benzenecarbonitrile

Systemtic Name: 3-[(2-azanylpyridin-1-ium-3-yl)oxymethyl]-4-fluoranyl-benzenecarbonitrile Openeye Name: 3-[(2-aminopyridin-1-ium-3-yl)oxymethyl]-4-fluoro-benzonitrile CAS Name: 3-[(2-amino-3-pyridin-1-iumyl)oxymethyl]-4-fluorobenzonitrile IUPAC Name: 3-[(2-aminopyridin-1-ium-3-yl)oxymethyl]-4-fluorobenzonitrile Traditional Name: 3-[(2-aminopyridin-1-ium-3-yl)oxymethyl]-4-fluoro-benzonitrile Formula: C13H11FN3O+ MolecularWeight: 244.244343

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C([NH+]=C1)N)OCC2=C(C=CC(=C2)C#N)F

Isomeric SMILES

C1=CC(=C([NH+]=C1)N)OCC2=C(C=CC(=C2)C#N)F

InChI

InChI=1S/C13H10FN3O/c14-11-4-3-9(7-15)6-10(11)8-18-12-2-1-5-17-13(12)16/h1-6H,8H2,(H2,16,17)/p+1