2-(2-ethylsulfanylethyl)-5-piperazin-4-ium-1-yl-pyridazin-3-one

Systemtic Name: 2-(2-ethylsulfanylethyl)-5-piperazin-4-ium-1-yl-pyridazin-3-one Openeye Name: 2-(2-ethylsulfanylethyl)-5-piperazin-4-ium-1-yl-pyridazin-3-one CAS Name: 2-[2-(ethylthio)ethyl]-5-(1-piperazin-4-iumyl)-3-pyridazinone IUPAC Name: 2-(2-ethylsulfanylethyl)-5-piperazin-4-ium-1-ylpyridazin-3-one Traditional Name: 2-[2-(ethylthio)ethyl]-5-piperazin-4-ium-1-yl-pyridazin-3-one Formula: C12H21N4OS+ MolecularWeight: 269.38634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSCCN1C(=O)C=C(C=N1)N2CC[NH2+]CC2

Isomeric SMILES

CCSCCN1C(=O)C=C(C=N1)N2CC[NH2+]CC2

InChI

InChI=1S/C12H20N4OS/c1-2-18-8-7-16-12(17)9-11(10-14-16)15-5-3-13-4-6-15/h9-10,13H,2-8H2,1H3/p+1