[4-[6-(4-ethylpiperazin-4-ium-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3-nitrophenyl)methanone

Systemtic Name: [4-[6-(4-ethylpiperazin-4-ium-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3-nitrophenyl)methanone Openeye Name: [4-[6-(4-ethylpiperazin-4-ium-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3-nitrophenyl)methanone CAS Name: [4-[6-(4-ethyl-1-piperazin-4-iumyl)-3-pyridazinyl]-1-piperazinyl]-(3-nitrophenyl)methanone IUPAC Name: [4-[6-(4-ethylpiperazin-4-ium-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3-nitrophenyl)methanone Traditional Name: [4-[6-(4-ethylpiperazin-4-ium-1-yl)pyridazin-3-yl]piperazino]-(3-nitrophenyl)methanone Formula: C21H28N7O3+ MolecularWeight: 426.49212

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C21H27N7O3/c1-2-24-8-10-25(11-9-24)19-6-7-20(23-22-19)26-12-14-27(15-13-26)21(29)17-4-3-5-18(16-17)28(30)31/h3-7,16H,2,8-15H2,1H3/p+1