1-(azetidin-1-yl)-2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(azetidin-1-yl)-2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]ethanone Openeye Name: 1-(azetidin-1-yl)-2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-(1-azetidinyl)-2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(azetidin-1-yl)-2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-(azetidin-1-yl)-2-(4-piazthiol-4-ylsulfonylpiperazin-1-ium-1-yl)ethanone Formula: C15H20N5O3S2+ MolecularWeight: 382.481

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

C1CN(C1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C15H19N5O3S2/c21-14(19-5-2-6-19)11-18-7-9-20(10-8-18)25(22,23)13-4-1-3-12-15(13)17-24-16-12/h1,3-4H,2,5-11H2/p+1