5-chloranyl-4-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]-1H-pyridazin-6-one

Systemtic Name: 5-chloranyl-4-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]-1H-pyridazin-6-one Openeye Name: 5-chloro-4-[4-[[2-(3-thienyl)thiazol-4-yl]methyl]piperazin-4-ium-1-yl]-1H-pyridazin-6-one CAS Name: 5-chloro-4-[4-[[2-(3-thiophenyl)-4-thiazolyl]methyl]-1-piperazin-4-iumyl]-1H-pyridazin-6-one IUPAC Name: 5-chloro-4-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]-1H-pyridazin-6-one Traditional Name: 5-chloro-4-[4-[[2-(3-thienyl)thiazol-4-yl]methyl]piperazin-4-ium-1-yl]-1H-pyridazin-6-one Formula: C16H17ClN5OS2+ MolecularWeight: 394.92208

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC(=N2)C3=CSC=C3)C4=C(C(=O)NN=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC(=N2)C3=CSC=C3)C4=C(C(=O)NN=C4)Cl

InChI

InChI=1S/C16H16ClN5OS2/c17-14-13(7-18-20-15(14)23)22-4-2-21(3-5-22)8-12-10-25-16(19-12)11-1-6-24-9-11/h1,6-7,9-10H,2-5,8H2,(H,20,23)/p+1