2-[5-[azaniumylidene(azanyl)methyl]-2H-benzimidazol-1-ium-2-yl]-4-fluoranyl-phenolate

Systemtic Name: 2-[5-[azaniumylidene(azanyl)methyl]-2H-benzimidazol-1-ium-2-yl]-4-fluoranyl-phenolate Openeye Name: 2-[5-[amino(azaniumylidene)methyl]-2H-benzimidazol-1-ium-2-yl]-4-fluoro-phenolate CAS Name: 2-[5-[amino(iminio)methyl]-2H-benzimidazol-1-ium-2-yl]-4-fluorophenolate IUPAC Name: 2-[5-[amino(azaniumylidene)methyl]-2H-benzimidazol-1-ium-2-yl]-4-fluorophenolate Traditional Name: 2-[5-[amino(iminio)methyl]-2H-benzimidazol-1-ium-2-yl]-4-fluoro-phenolate Formula: C14H12FN4O+ MolecularWeight: 271.269683

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=[NH+]C(N=C2C=C1C(=[NH2+])N)C3=C(C=CC(=C3)F)[O-]

Isomeric SMILES

C1=CC2=[NH+]C(N=C2C=C1C(=[NH2+])N)C3=C(C=CC(=C3)F)[O-]

InChI

InChI=1S/C14H11FN4O/c15-8-2-4-12(20)9(6-8)14-18-10-3-1-7(13(16)17)5-11(10)19-14/h1-6,14,20H,(H3,16,17)/p+1