1-[6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridin-3-yl]sulfonyl-4-methyl-piperazin-4-ium

Systemtic Name: 1-[6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridin-3-yl]sulfonyl-4-methyl-piperazin-4-ium Openeye Name: 1-[[6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-3-pyridyl]sulfonyl]-4-methyl-piperazin-4-ium CAS Name: 1-[[6-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-3-pyridinyl]sulfonyl]-4-methylpiperazin-4-ium IUPAC Name: 1-[6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridin-3-yl]sulfonyl-4-methylpiperazin-4-ium Traditional Name: 1-[[6-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-3-pyridyl]sulfonyl]-4-methyl-piperazin-4-ium Formula: C18H22N3O4S2+ MolecularWeight: 408.51498

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C18H21N3O4S2/c1-20-6-8-21(9-7-20)27(22,23)15-3-5-18(19-13-15)26-14-2-4-16-17(12-14)25-11-10-24-16/h2-5,12-13H,6-11H2,1H3/p+1