N-[6-[4-(4-ethylpiperazin-4-ium-1-yl)-4-oxidanylidene-butyl]sulfanylpyridazin-3-yl]-4-fluoranyl-benzamide

Systemtic Name: N-[6-[4-(4-ethylpiperazin-4-ium-1-yl)-4-oxidanylidene-butyl]sulfanylpyridazin-3-yl]-4-fluoranyl-benzamide Openeye Name: N-[6-[4-(4-ethylpiperazin-4-ium-1-yl)-4-oxo-butyl]sulfanylpyridazin-3-yl]-4-fluoro-benzamide CAS Name: N-[6-[[4-(4-ethyl-1-piperazin-4-iumyl)-4-oxobutyl]thio]-3-pyridazinyl]-4-fluorobenzamide IUPAC Name: N-[6-[4-(4-ethylpiperazin-4-ium-1-yl)-4-oxobutyl]sulfanylpyridazin-3-yl]-4-fluorobenzamide Traditional Name: N-[6-[[4-(4-ethylpiperazin-4-ium-1-yl)-4-keto-butyl]thio]pyridazin-3-yl]-4-fluoro-benzamide Formula: C21H27FN5O2S+ MolecularWeight: 432.534783

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)CCCSC2=NN=C(C=C2)NC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)CCCSC2=NN=C(C=C2)NC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H26FN5O2S/c1-2-26-11-13-27(14-12-26)20(28)4-3-15-30-19-10-9-18(24-25-19)23-21(29)16-5-7-17(22)8-6-16/h5-10H,2-4,11-15H2,1H3,(H,23,24,29)/p+1