4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]sulfonyl-5-methyl-2,1,3-benzothiadiazole

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]sulfonyl-5-methyl-2,1,3-benzothiadiazole Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]sulfonyl-5-methyl-2,1,3-benzothiadiazole CAS Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]sulfonyl]-5-methyl-2,1,3-benzothiadiazole IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]sulfonyl-5-methyl-2,1,3-benzothiadiazole Traditional Name: 5-methyl-4-(4-piperonylpiperazin-4-ium-1-yl)sulfonyl-piazthiole Formula: C19H21N4O4S2+ MolecularWeight: 433.52444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NSN=C2C=C1)S(=O)(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(C2=NSN=C2C=C1)S(=O)(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C19H20N4O4S2/c1-13-2-4-15-18(21-28-20-15)19(13)29(24,25)23-8-6-22(7-9-23)11-14-3-5-16-17(10-14)27-12-26-16/h2-5,10H,6-9,11-12H2,1H3/p+1