2-methyl-5-[4-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperazin-4-ium-1-yl]pyridazin-3-one

Systemtic Name: 2-methyl-5-[4-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperazin-4-ium-1-yl]pyridazin-3-one Openeye Name: 2-methyl-5-[4-[[5-(1H-pyrazol-5-yl)-2-thienyl]methyl]piperazin-4-ium-1-yl]pyridazin-3-one CAS Name: 2-methyl-5-[4-[[5-(1H-pyrazol-5-yl)-2-thiophenyl]methyl]-1-piperazin-4-iumyl]-3-pyridazinone IUPAC Name: 2-methyl-5-[4-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperazin-4-ium-1-yl]pyridazin-3-one Traditional Name: 2-methyl-5-[4-[[5-(1H-pyrazol-5-yl)-2-thienyl]methyl]piperazin-4-ium-1-yl]pyridazin-3-one Formula: C17H21N6OS+ MolecularWeight: 357.45324

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=C(C=N1)N2CC[NH+](CC2)CC3=CC=C(S3)C4=CC=NN4

Isomeric SMILES

CN1C(=O)C=C(C=N1)N2CC[NH+](CC2)CC3=CC=C(S3)C4=CC=NN4

InChI

InChI=1S/C17H20N6OS/c1-21-17(24)10-13(11-19-21)23-8-6-22(7-9-23)12-14-2-3-16(25-14)15-4-5-18-20-15/h2-5,10-11H,6-9,12H2,1H3,(H,18,20)/p+1