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

Systemtic Name: (2-chloranyl-4-nitro-phenyl)-[4-[6-(4-ethylpiperazin-4-ium-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone Openeye Name: (2-chloro-4-nitro-phenyl)-[4-[6-(4-ethylpiperazin-4-ium-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone CAS Name: (2-chloro-4-nitrophenyl)-[4-[6-(4-ethyl-1-piperazin-4-iumyl)-3-pyridazinyl]-1-piperazinyl]methanone IUPAC Name: (2-chloro-4-nitrophenyl)-[4-[6-(4-ethylpiperazin-4-ium-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone Traditional Name: (2-chloro-4-nitro-phenyl)-[4-[6-(4-ethylpiperazin-4-ium-1-yl)pyridazin-3-yl]piperazino]methanone Formula: C21H27ClN7O3+ MolecularWeight: 460.93718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClN7O3/c1-2-25-7-9-26(10-8-25)19-5-6-20(24-23-19)27-11-13-28(14-12-27)21(30)17-4-3-16(29(31)32)15-18(17)22/h3-6,15H,2,7-14H2,1H3/p+1