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

Systemtic Name: 2-methyl-5-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]pyridazin-3-one Openeye Name: 2-methyl-5-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]pyridazin-3-one CAS Name: 2-methyl-5-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]-3-pyridazinone IUPAC Name: 2-methyl-5-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]pyridazin-3-one Traditional Name: 2-methyl-5-[4-(3-thenyl)piperazin-4-ium-1-yl]pyridazin-3-one Formula: C14H19N4OS+ MolecularWeight: 291.39186

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=C(C=N1)N2CC[NH+](CC2)CC3=CSC=C3

Isomeric SMILES

CN1C(=O)C=C(C=N1)N2CC[NH+](CC2)CC3=CSC=C3

InChI

InChI=1S/C14H18N4OS/c1-16-14(19)8-13(9-15-16)18-5-3-17(4-6-18)10-12-2-7-20-11-12/h2,7-9,11H,3-6,10H2,1H3/p+1