4-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-2,1,3-benzothiadiazole

Systemtic Name: 4-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-2,1,3-benzothiadiazole Openeye Name: 4-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-2,1,3-benzothiadiazole CAS Name: 4-[(4-ethyl-1-piperazin-4-iumyl)sulfonyl]-2,1,3-benzothiadiazole IUPAC Name: 4-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-2,1,3-benzothiadiazole Traditional Name: 4-(4-ethylpiperazin-4-ium-1-yl)sulfonylpiazthiole Formula: C12H17N4O2S2+ MolecularWeight: 313.41898

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC3=NSN=C32

Isomeric SMILES

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC3=NSN=C32

InChI

InChI=1S/C12H16N4O2S2/c1-2-15-6-8-16(9-7-15)20(17,18)11-5-3-4-10-12(11)14-19-13-10/h3-5H,2,6-9H2,1H3/p+1