2-(4H-3,1-benzothiazin-2-ylsulfanyl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-(4H-3,1-benzothiazin-2-ylthio)-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-(4H-3,1-benzothiazin-2-ylthio)-1-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C19H21N4OS2+ MolecularWeight: 385.52624

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CSC3=NC4=CC=CC=C4CS3

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CSC3=NC4=CC=CC=C4CS3

InChI

InChI=1S/C19H20N4OS2/c24-18(14-26-19-21-16-6-2-1-5-15(16)13-25-19)23-11-9-22(10-12-23)17-7-3-4-8-20-17/h1-8H,9-14H2/p+1