N-[(3-methylsulfanylphenyl)methyl]-2-[6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridazin-3-yl]oxy-ethanamide

Systemtic Name: N-[(3-methylsulfanylphenyl)methyl]-2-[6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridazin-3-yl]oxy-ethanamide Openeye Name: N-[(3-methylsulfanylphenyl)methyl]-2-[6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridazin-3-yl]oxy-acetamide CAS Name: N-[[3-(methylthio)phenyl]methyl]-2-[[6-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-pyridazinyl]oxy]acetamide IUPAC Name: N-[(3-methylsulfanylphenyl)methyl]-2-[6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridazin-3-yl]oxyacetamide Traditional Name: N-[3-(methylthio)benzyl]-2-[6-(4-pyridin-1-ium-2-ylpiperazino)pyridazin-3-yl]oxy-acetamide Formula: C23H27N6O2S+ MolecularWeight: 451.56448

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)CNC(=O)COC2=NN=C(C=C2)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CSC1=CC=CC(=C1)CNC(=O)COC2=NN=C(C=C2)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C23H26N6O2S/c1-32-19-6-4-5-18(15-19)16-25-22(30)17-31-23-9-8-21(26-27-23)29-13-11-28(12-14-29)20-7-2-3-10-24-20/h2-10,15H,11-14,16-17H2,1H3,(H,25,30)/p+1