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

Systemtic Name: 4-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-2,1,3-benzothiadiazole Openeye Name: 4-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-2,1,3-benzothiadiazole CAS Name: 4-[[4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazin-4-iumyl]sulfonyl]-2,1,3-benzothiadiazole IUPAC Name: 4-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-2,1,3-benzothiadiazole Traditional Name: 4-[4-(2,3,4-trimethoxybenzyl)piperazin-4-ium-1-yl]sulfonylpiazthiole Formula: C20H25N4O5S2+ MolecularWeight: 465.5663

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43)OC)OC

InChI

InChI=1S/C20H24N4O5S2/c1-27-16-8-7-14(19(28-2)20(16)29-3)13-23-9-11-24(12-10-23)31(25,26)17-6-4-5-15-18(17)22-30-21-15/h4-8H,9-13H2,1-3H3/p+1