2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-ethanone CAS Name: 2-[[6-(4-fluorophenyl)-3-pyridazinyl]thio]-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylethanone Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-[[6-(4-fluorophenyl)pyridazin-3-yl]thio]ethanone Formula: C23H24FN4OS+ MolecularWeight: 423.526263

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CSC3=NN=C(C=C3)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CSC3=NN=C(C=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H23FN4OS/c24-20-8-6-19(7-9-20)21-10-11-22(26-25-21)30-17-23(29)28-14-12-27(13-15-28)16-18-4-2-1-3-5-18/h1-11H,12-17H2/p+1