(3R)-3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]oxolan-2-one

Systemtic Name: (3R)-3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]oxolan-2-one Openeye Name: (3R)-3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]tetrahydrofuran-2-one CAS Name: (3R)-3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazin-1-iumyl]-2-oxolanone IUPAC Name: (3R)-3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]oxolan-2-one Traditional Name: (3R)-3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]tetrahydrofuran-2-one Formula: C16H21N2O6S+ MolecularWeight: 369.41274

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(=O)C1[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1COC(=O)[C@@H]1[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C16H20N2O6S/c19-16-13(3-8-24-16)17-4-6-18(7-5-17)25(20,21)12-1-2-14-15(11-12)23-10-9-22-14/h1-2,11,13H,3-10H2/p+1/t13-/m1/s1