3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-1,2-benzothiazole 1,1-dioxide

Systemtic Name: 3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-1,2-benzothiazole 1,1-dioxide Openeye Name: 3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-1,2-benzothiazole 1,1-dioxide CAS Name: 3-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-1,2-benzothiazole 1,1-dioxide IUPAC Name: 3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-1,2-benzothiazole 1,1-dioxide Traditional Name: 3-(4-pyridin-1-ium-2-ylpiperazino)-1,2-benzothiazole 1,1-dioxide Formula: C16H17N4O2S+ MolecularWeight: 329.39678

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C16H16N4O2S/c21-23(22)14-6-2-1-5-13(14)16(18-23)20-11-9-19(10-12-20)15-7-3-4-8-17-15/h1-8H,9-12H2/p+1