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

Systemtic Name: 2-[5-[azaniumylidene(azanyl)methyl]-2H-benzimidazol-1-ium-2-yl]-4-(trifluoromethyloxy)phenolate Openeye Name: 2-[5-[amino(azaniumylidene)methyl]-2H-benzimidazol-1-ium-2-yl]-4-(trifluoromethoxy)phenolate CAS Name: 2-[5-[amino(iminio)methyl]-2H-benzimidazol-1-ium-2-yl]-4-(trifluoromethoxy)phenolate IUPAC Name: 2-[5-[amino(azaniumylidene)methyl]-2H-benzimidazol-1-ium-2-yl]-4-(trifluoromethoxy)phenolate Traditional Name: 2-[5-[amino(iminio)methyl]-2H-benzimidazol-1-ium-2-yl]-4-(trifluoromethoxy)phenolate Formula: C15H12F3N4O2+ MolecularWeight: 337.27659

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11F3N4O2/c16-15(17,18)24-8-2-4-12(23)9(6-8)14-21-10-3-1-7(13(19)20)5-11(10)22-14/h1-6,14,23H,(H3,19,20)/p+1