2,4-dimethyl-5-[6-(2-piperidin-1-ium-1-ylethylsulfanyl)pyridazin-3-yl]-1,3-thiazole

Systemtic Name: 2,4-dimethyl-5-[6-(2-piperidin-1-ium-1-ylethylsulfanyl)pyridazin-3-yl]-1,3-thiazole Openeye Name: 2,4-dimethyl-5-[6-(2-piperidin-1-ium-1-ylethylsulfanyl)pyridazin-3-yl]thiazole CAS Name: 2,4-dimethyl-5-[6-[2-(1-piperidin-1-iumyl)ethylthio]-3-pyridazinyl]thiazole IUPAC Name: 2,4-dimethyl-5-[6-(2-piperidin-1-ium-1-ylethylsulfanyl)pyridazin-3-yl]-1,3-thiazole Traditional Name: 2,4-dimethyl-5-[6-(2-piperidin-1-ium-1-ylethylthio)pyridazin-3-yl]thiazole Formula: C16H23N4S2+ MolecularWeight: 335.51062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C)C2=NN=C(C=C2)SCC[NH+]3CCCCC3

Isomeric SMILES

CC1=C(SC(=N1)C)C2=NN=C(C=C2)SCC[NH+]3CCCCC3

InChI

InChI=1S/C16H22N4S2/c1-12-16(22-13(2)17-12)14-6-7-15(19-18-14)21-11-10-20-8-4-3-5-9-20/h6-7H,3-5,8-11H2,1-2H3/p+1