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

Systemtic Name: [4-[6-(4-ethylpiperazin-4-ium-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3-fluorophenyl)methanone Openeye Name: [4-[6-(4-ethylpiperazin-4-ium-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3-fluorophenyl)methanone CAS Name: [4-[6-(4-ethyl-1-piperazin-4-iumyl)-3-pyridazinyl]-1-piperazinyl]-(3-fluorophenyl)methanone IUPAC Name: [4-[6-(4-ethylpiperazin-4-ium-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3-fluorophenyl)methanone Traditional Name: [4-[6-(4-ethylpiperazin-4-ium-1-yl)pyridazin-3-yl]piperazino]-(3-fluorophenyl)methanone Formula: C21H28FN6O+ MolecularWeight: 399.485023

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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)F

Isomeric SMILES

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

InChI

InChI=1S/C21H27FN6O/c1-2-25-8-10-26(11-9-25)19-6-7-20(24-23-19)27-12-14-28(15-13-27)21(29)17-4-3-5-18(22)16-17/h3-7,16H,2,8-15H2,1H3/p+1