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4-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-2,1,3-benzothiadiazole

4-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-2,1,3-benzothiadiazole

Systemtic Name:4-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-2,1,3-benzothiadiazole
Openeye Name:4-[4-(m-tolylmethyl)piperazin-4-ium-1-yl]sulfonyl-2,1,3-benzothiadiazole
CAS Name:4-[[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]sulfonyl]-2,1,3-benzothiadiazole
IUPAC Name:4-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-2,1,3-benzothiadiazole
Traditional Name:4-[4-(3-methylbenzyl)piperazin-4-ium-1-yl]sulfonylpiazthiole
Formula: C18H21N4O2S2+
MolecularWeight: 389.51494
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43


Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43


InChI

InChI=1S/C18H20N4O2S2/c1-14-4-2-5-15(12-14)13-21-8-10-22(11-9-21)26(23,24)17-7-3-6-16-18(17)20-25-19-16/h2-7,12H,8-11,13H2,1H3/p+1


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