4-[5-[6-(4-methylpiperazin-4-ium-1-yl)-1H-benzimidazol-2-yl]-1,3-dihydrobenzimidazol-2-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[5-[6-(4-methylpiperazin-4-ium-1-yl)-1H-benzimidazol-2-yl]-1,3-dihydrobenzimidazol-2-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[5-[6-(4-methylpiperazin-4-ium-1-yl)-1H-benzimidazol-2-yl]-1,3-dihydrobenzimidazol-2-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[5-[6-(4-methyl-1-piperazin-4-iumyl)-1H-benzimidazol-2-yl]-1,3-dihydrobenzimidazol-2-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[5-[6-(4-methylpiperazin-4-ium-1-yl)-1H-benzimidazol-2-yl]-1,3-dihydrobenzimidazol-2-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[5-[6-(4-methylpiperazin-4-ium-1-yl)-1H-benzimidazol-2-yl]-1,3-dihydrobenzimidazol-2-ylidene]cyclohexa-2,5-dien-1-one Formula: C25H25N6O+ MolecularWeight: 425.5056

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=CC5=C(C=C4)NC(=C6C=CC(=O)C=C6)N5

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=CC5=C(C=C4)NC(=C6C=CC(=O)C=C6)N5

InChI

InChI=1S/C25H24N6O/c1-30-10-12-31(13-11-30)18-5-9-21-23(15-18)29-25(27-21)17-4-8-20-22(14-17)28-24(26-20)16-2-6-19(32)7-3-16/h2-9,14-15,26,28H,10-13H2,1H3,(H,27,29)/p+1