1-[6-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]pyridin-3-yl]sulfonyl-4-methyl-piperazin-4-ium

Systemtic Name: 1-[6-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]pyridin-3-yl]sulfonyl-4-methyl-piperazin-4-ium Openeye Name: 1-[[6-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-3-pyridyl]sulfonyl]-4-methyl-piperazin-4-ium CAS Name: 1-[[6-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-3-pyridinyl]sulfonyl]-4-methylpiperazin-4-ium IUPAC Name: 1-[6-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]pyridin-3-yl]sulfonyl-4-methylpiperazin-4-ium Traditional Name: 1-[[6-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-3-pyridyl]sulfonyl]-4-methyl-piperazin-4-ium Formula: C19H23ClN3O4S2+ MolecularWeight: 456.98662

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=CC4=C(C(=C3)Cl)OCCO4

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=CC4=C(C(=C3)Cl)OCCO4

InChI

InChI=1S/C19H22ClN3O4S2/c1-22-4-6-23(7-5-22)29(24,25)15-2-3-18(21-12-15)28-13-14-10-16(20)19-17(11-14)26-8-9-27-19/h2-3,10-12H,4-9,13H2,1H3/p+1