1-[4-azanyl-3-(2-piperidin-1-ium-1-ylethylsulfanyl)thieno[2,3-c][1,2]thiazol-5-yl]ethanone

Systemtic Name: 1-[4-azanyl-3-(2-piperidin-1-ium-1-ylethylsulfanyl)thieno[2,3-c][1,2]thiazol-5-yl]ethanone Openeye Name: 1-[4-amino-3-(2-piperidin-1-ium-1-ylethylsulfanyl)thieno[2,3-c]isothiazol-5-yl]ethanone CAS Name: 1-[4-amino-3-[2-(1-piperidin-1-iumyl)ethylthio]-5-thieno[2,3-c]isothiazolyl]ethanone IUPAC Name: 1-[4-amino-3-(2-piperidin-1-ium-1-ylethylsulfanyl)thieno[2,3-c][1,2]thiazol-5-yl]ethanone Traditional Name: 1-[4-amino-3-(2-piperidin-1-ium-1-ylethylthio)thien[2,3-c]isothiazol-5-yl]ethanone Formula: C14H20N3OS3+ MolecularWeight: 342.5231

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C2=C(SN=C2S1)SCC[NH+]3CCCCC3)N

Isomeric SMILES

CC(=O)C1=C(C2=C(SN=C2S1)SCC[NH+]3CCCCC3)N

InChI

InChI=1S/C14H19N3OS3/c1-9(18)12-11(15)10-13(20-12)16-21-14(10)19-8-7-17-5-3-2-4-6-17/h2-8,15H2,1H3/p+1