1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[2-(4-fluoranylphenoxy)ethyl]piperazin-4-ium

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[2-(4-fluoranylphenoxy)ethyl]piperazin-4-ium Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[2-(4-fluorophenoxy)ethyl]piperazin-4-ium CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[2-(4-fluorophenoxy)ethyl]piperazin-4-ium IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[2-(4-fluorophenoxy)ethyl]piperazin-4-ium Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[2-(4-fluorophenoxy)ethyl]piperazin-4-ium Formula: C20H24FN2O5S+ MolecularWeight: 423.478363

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=C(C=C2)F)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=C(C=C2)F)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H23FN2O5S/c21-16-1-3-17(4-2-16)26-12-11-22-7-9-23(10-8-22)29(24,25)18-5-6-19-20(15-18)28-14-13-27-19/h1-6,15H,7-14H2/p+1