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

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium Formula: C21H27N2O6S+ MolecularWeight: 435.51388

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

COC1=CC=C(C=C1)OCC[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H26N2O6S/c1-26-17-2-4-18(5-3-17)27-13-12-22-8-10-23(11-9-22)30(24,25)19-6-7-20-21(16-19)29-15-14-28-20/h2-7,16H,8-15H2,1H3/p+1