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

Systemtic Name: 1-[4-azanyl-3-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)thieno[2,3-c][1,2]thiazol-5-yl]ethanone Openeye Name: 1-[4-amino-3-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)thieno[2,3-c]isothiazol-5-yl]ethanone CAS Name: 1-[4-amino-3-[2-(1-pyrrolidin-1-iumyl)ethylthio]-5-thieno[2,3-c]isothiazolyl]ethanone IUPAC Name: 1-[4-amino-3-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)thieno[2,3-c][1,2]thiazol-5-yl]ethanone Traditional Name: 1-[4-amino-3-(2-pyrrolidin-1-ium-1-ylethylthio)thien[2,3-c]isothiazol-5-yl]ethanone Formula: C13H18N3OS3+ MolecularWeight: 328.49652

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C2=C(SN=C2S1)SCC[NH+]3CCCC3)N

Isomeric SMILES

CC(=O)C1=C(C2=C(SN=C2S1)SCC[NH+]3CCCC3)N

InChI

InChI=1S/C13H17N3OS3/c1-8(17)11-10(14)9-12(19-11)15-20-13(9)18-7-6-16-4-2-3-5-16/h2-7,14H2,1H3/p+1