2-[(2-fluorophenyl)-(2-methyl-4-oxidanyl-1H-imidazol-3-ium-5-yl)methyl]propanedinitrile

Systemtic Name: 2-[(2-fluorophenyl)-(2-methyl-4-oxidanyl-1H-imidazol-3-ium-5-yl)methyl]propanedinitrile Openeye Name: 2-[(2-fluorophenyl)-(4-hydroxy-2-methyl-1H-imidazol-3-ium-5-yl)methyl]propanedinitrile CAS Name: 2-[(2-fluorophenyl)-(4-hydroxy-2-methyl-1H-imidazol-3-ium-5-yl)methyl]propanedinitrile IUPAC Name: 2-[(2-fluorophenyl)-(4-hydroxy-2-methyl-1H-imidazol-3-ium-5-yl)methyl]propanedinitrile Traditional Name: 2-[(2-fluorophenyl)-(4-hydroxy-2-methyl-1H-imidazol-3-ium-5-yl)methyl]malononitrile Formula: C14H12FN4O+ MolecularWeight: 271.269683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C(=C(N1)C(C2=CC=CC=C2F)C(C#N)C#N)O

Isomeric SMILES

CC1=[NH+]C(=C(N1)C(C2=CC=CC=C2F)C(C#N)C#N)O

InChI

InChI=1S/C14H11FN4O/c1-8-18-13(14(20)19-8)12(9(6-16)7-17)10-4-2-3-5-11(10)15/h2-5,9,12,20H,1H3,(H,18,19)/p+1