7-methyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2,1,3-benzothiadiazole

Systemtic Name: 7-methyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2,1,3-benzothiadiazole Openeye Name: 7-methyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2,1,3-benzothiadiazole CAS Name: 7-methyl-4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2,1,3-benzothiadiazole IUPAC Name: 7-methyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2,1,3-benzothiadiazole Traditional Name: 4-methyl-7-(4-methylpiperazin-4-ium-1-yl)sulfonyl-piazthiole Formula: C12H17N4O2S2+ MolecularWeight: 313.41898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C2=NSN=C12)S(=O)(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC=C(C2=NSN=C12)S(=O)(=O)N3CC[NH+](CC3)C

InChI

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