4-[4-[(5-chloranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-2,1,3-benzothiadiazole

Systemtic Name: 4-[4-[(5-chloranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-2,1,3-benzothiadiazole Openeye Name: 4-[4-[(5-chloro-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-2,1,3-benzothiadiazole CAS Name: 4-[[4-[(5-chloro-2-methoxyphenyl)methyl]-1-piperazin-4-iumyl]sulfonyl]-2,1,3-benzothiadiazole IUPAC Name: 4-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-2,1,3-benzothiadiazole Traditional Name: 4-[4-(5-chloro-2-methoxy-benzyl)piperazin-4-ium-1-yl]sulfonylpiazthiole Formula: C18H20ClN4O3S2+ MolecularWeight: 439.9594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClN4O3S2/c1-26-16-6-5-14(19)11-13(16)12-22-7-9-23(10-8-22)28(24,25)17-4-2-3-15-18(17)21-27-20-15/h2-6,11H,7-10,12H2,1H3/p+1