2-[4-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperazin-1-ium-1-yl]ethanol

Systemtic Name: 2-[4-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperazin-1-ium-1-yl]ethanol Openeye Name: 2-[4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazin-1-ium-1-yl]ethanol CAS Name: 2-[4-(1,1-dioxo-1,2-benzothiazol-3-yl)-1-piperazin-1-iumyl]ethanol IUPAC Name: 2-[4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazin-1-ium-1-yl]ethanol Traditional Name: 2-[4-(1,1-diketo-1,2-benzothiazol-3-yl)piperazin-1-ium-1-yl]ethanol Formula: C13H18N3O3S+ MolecularWeight: 296.36532

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCO)C2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

C1CN(CC[NH+]1CCO)C2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C13H17N3O3S/c17-10-9-15-5-7-16(8-6-15)13-11-3-1-2-4-12(11)20(18,19)14-13/h1-4,17H,5-10H2/p+1