2-[5-[azaniumylidene(azanyl)methyl]-6-chloranyl-2H-benzimidazol-3-ium-2-yl]-6-phenyl-phenolate

Systemtic Name: 2-[5-[azaniumylidene(azanyl)methyl]-6-chloranyl-2H-benzimidazol-3-ium-2-yl]-6-phenyl-phenolate Openeye Name: 2-[5-[amino(azaniumylidene)methyl]-6-chloro-2H-benzimidazol-3-ium-2-yl]-6-phenyl-phenolate CAS Name: 2-[5-[amino(iminio)methyl]-6-chloro-2H-benzimidazol-3-ium-2-yl]-6-phenylphenolate IUPAC Name: 2-[5-[amino(azaniumylidene)methyl]-6-chloro-2H-benzimidazol-3-ium-2-yl]-6-phenylphenolate Traditional Name: 2-[5-[amino(iminio)methyl]-6-chloro-2H-benzimidazol-3-ium-2-yl]-6-phenyl-phenolate Formula: C20H16ClN4O+ MolecularWeight: 363.82024

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=CC=C2)C3[NH+]=C4C=C(C(=CC4=N3)Cl)C(=[NH2+])N)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=CC=C2)C3[NH+]=C4C=C(C(=CC4=N3)Cl)C(=[NH2+])N)[O-]

InChI

InChI=1S/C20H15ClN4O/c21-15-10-17-16(9-14(15)19(22)23)24-20(25-17)13-8-4-7-12(18(13)26)11-5-2-1-3-6-11/h1-10,20,26H,(H3,22,23)/p+1