2-[4-[2-(dibenzofuran-3-yliminomethyl)-4-nitro-phenyl]piperazin-1-ium-1-yl]ethanol

Systemtic Name: 2-[4-[2-(dibenzofuran-3-yliminomethyl)-4-nitro-phenyl]piperazin-1-ium-1-yl]ethanol Openeye Name: 2-[4-[2-(dibenzofuran-3-yliminomethyl)-4-nitro-phenyl]piperazin-1-ium-1-yl]ethanol CAS Name: 2-[4-[2-(3-dibenzofuranyliminomethyl)-4-nitrophenyl]-1-piperazin-1-iumyl]ethanol IUPAC Name: 2-[4-[2-(dibenzofuran-3-yliminomethyl)-4-nitrophenyl]piperazin-1-ium-1-yl]ethanol Traditional Name: 2-[4-[2-(dibenzofuran-3-yliminomethyl)-4-nitro-phenyl]piperazin-1-ium-1-yl]ethanol Formula: C25H25N4O4+ MolecularWeight: 445.4904

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCO)C2=C(C=C(C=C2)[N+](=O)[O-])C=NC3=CC4=C(C=C3)C5=CC=CC=C5O4

Isomeric SMILES

C1CN(CC[NH+]1CCO)C2=C(C=C(C=C2)[N+](=O)[O-])C=NC3=CC4=C(C=C3)C5=CC=CC=C5O4

InChI

InChI=1S/C25H24N4O4/c30-14-13-27-9-11-28(12-10-27)23-8-6-20(29(31)32)15-18(23)17-26-19-5-7-22-21-3-1-2-4-24(21)33-25(22)16-19/h1-8,15-17,30H,9-14H2/p+1