2-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]ethanone CAS Name: 2-(1,3-benzothiazol-2-ylthio)-1-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-1-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]ethanone Formula: C15H20N3O2S2+ MolecularWeight: 338.4682

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCO)C(=O)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

C1CN(CC[NH+]1CCO)C(=O)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C15H19N3O2S2/c19-10-9-17-5-7-18(8-6-17)14(20)11-21-15-16-12-3-1-2-4-13(12)22-15/h1-4,19H,5-11H2/p+1