(3,5-dinitrophenyl)-[4-[6-(4-ethylpiperazin-4-ium-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone

Systemtic Name: (3,5-dinitrophenyl)-[4-[6-(4-ethylpiperazin-4-ium-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone Openeye Name: (3,5-dinitrophenyl)-[4-[6-(4-ethylpiperazin-4-ium-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone CAS Name: (3,5-dinitrophenyl)-[4-[6-(4-ethyl-1-piperazin-4-iumyl)-3-pyridazinyl]-1-piperazinyl]methanone IUPAC Name: (3,5-dinitrophenyl)-[4-[6-(4-ethylpiperazin-4-ium-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone Traditional Name: (3,5-dinitrophenyl)-[4-[6-(4-ethylpiperazin-4-ium-1-yl)pyridazin-3-yl]piperazino]methanone Formula: C21H27N8O5+ MolecularWeight: 471.48968

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NN=C(C=C2)N3CCN(CC3)C(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NN=C(C=C2)N3CCN(CC3)C(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H26N8O5/c1-2-24-5-7-25(8-6-24)19-3-4-20(23-22-19)26-9-11-27(12-10-26)21(30)16-13-17(28(31)32)15-18(14-16)29(33)34/h3-4,13-15H,2,5-12H2,1H3/p+1