(4-chloranyl-3-nitro-phenyl)-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone

Systemtic Name: (4-chloranyl-3-nitro-phenyl)-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone Openeye Name: (4-chloro-3-nitro-phenyl)-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone CAS Name: (4-chloro-3-nitrophenyl)-[4-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridazinyl]-1-piperazinyl]methanone IUPAC Name: (4-chloro-3-nitrophenyl)-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone Traditional Name: (4-chloro-3-nitro-phenyl)-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]piperazino]methanone Formula: C20H25ClN7O3+ MolecularWeight: 446.9106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24ClN7O3/c1-24-6-8-25(9-7-24)18-4-5-19(23-22-18)26-10-12-27(13-11-26)20(29)15-2-3-16(21)17(14-15)28(30)31/h2-5,14H,6-13H2,1H3/p+1