2-[5-[azaniumylidene(azanyl)methyl]-2H-benzimidazol-1-ium-2-yl]-6-bromanyl-4-methyl-phenolate

Systemtic Name: 2-[5-[azaniumylidene(azanyl)methyl]-2H-benzimidazol-1-ium-2-yl]-6-bromanyl-4-methyl-phenolate Openeye Name: 2-[5-[amino(azaniumylidene)methyl]-2H-benzimidazol-1-ium-2-yl]-6-bromo-4-methyl-phenolate CAS Name: 2-[5-[amino(iminio)methyl]-2H-benzimidazol-1-ium-2-yl]-6-bromo-4-methylphenolate IUPAC Name: 2-[5-[amino(azaniumylidene)methyl]-2H-benzimidazol-1-ium-2-yl]-6-bromo-4-methylphenolate Traditional Name: 2-[5-[amino(iminio)methyl]-2H-benzimidazol-1-ium-2-yl]-6-bromo-4-methyl-phenolate Formula: C15H14BrN4O+ MolecularWeight: 346.20186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C2[NH+]=C3C=CC(=CC3=N2)C(=[NH2+])N)[O-])Br

Isomeric SMILES

CC1=CC(=C(C(=C1)C2[NH+]=C3C=CC(=CC3=N2)C(=[NH2+])N)[O-])Br

InChI

InChI=1S/C15H13BrN4O/c1-7-4-9(13(21)10(16)5-7)15-19-11-3-2-8(14(17)18)6-12(11)20-15/h2-6,15,21H,1H3,(H3,17,18)/p+1