2-[(2-fluoranylphenoxy)methyl]-5-(pyridin-1-ium-3-ylmethylamino)-1,3-oxazole-4-carbonitrile

Systemtic Name: 2-[(2-fluoranylphenoxy)methyl]-5-(pyridin-1-ium-3-ylmethylamino)-1,3-oxazole-4-carbonitrile Openeye Name: 2-[(2-fluorophenoxy)methyl]-5-(pyridin-1-ium-3-ylmethylamino)oxazole-4-carbonitrile CAS Name: 2-[(2-fluorophenoxy)methyl]-5-(3-pyridin-1-iumylmethylamino)-4-oxazolecarbonitrile IUPAC Name: 2-[(2-fluorophenoxy)methyl]-5-(pyridin-1-ium-3-ylmethylamino)-1,3-oxazole-4-carbonitrile Traditional Name: 2-[(2-fluorophenoxy)methyl]-5-(pyridin-1-ium-3-ylmethylamino)oxazole-4-carbonitrile Formula: C17H14FN4O2+ MolecularWeight: 325.317063

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)OCC2=NC(=C(O2)NCC3=C[NH+]=CC=C3)C#N)F

Isomeric SMILES

C1=CC=C(C(=C1)OCC2=NC(=C(O2)NCC3=C[NH+]=CC=C3)C#N)F

InChI

InChI=1S/C17H13FN4O2/c18-13-5-1-2-6-15(13)23-11-16-22-14(8-19)17(24-16)21-10-12-4-3-7-20-9-12/h1-7,9,21H,10-11H2/p+1