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

Systemtic Name: 4-[4-(3-phenoxypropyl)piperazin-4-ium-1-yl]sulfonyl-2,1,3-benzothiadiazole Openeye Name: 4-[4-(3-phenoxypropyl)piperazin-4-ium-1-yl]sulfonyl-2,1,3-benzothiadiazole CAS Name: 4-[[4-(3-phenoxypropyl)-1-piperazin-4-iumyl]sulfonyl]-2,1,3-benzothiadiazole IUPAC Name: 4-[4-(3-phenoxypropyl)piperazin-4-ium-1-yl]sulfonyl-2,1,3-benzothiadiazole Traditional Name: 4-[4-(3-phenoxypropyl)piperazin-4-ium-1-yl]sulfonylpiazthiole Formula: C19H23N4O3S2+ MolecularWeight: 419.54092

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCOC2=CC=CC=C2)S(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

C1CN(CC[NH+]1CCCOC2=CC=CC=C2)S(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C19H22N4O3S2/c24-28(25,18-9-4-8-17-19(18)21-27-20-17)23-13-11-22(12-14-23)10-5-15-26-16-6-2-1-3-7-16/h1-4,6-9H,5,10-15H2/p+1