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

Systemtic Name: (2R)-3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]propane-1,2-diol Openeye Name: (2R)-3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]propane-1,2-diol CAS Name: (2R)-3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazin-1-iumyl]propane-1,2-diol IUPAC Name: (2R)-3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]propane-1,2-diol Traditional Name: (2R)-3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]propane-1,2-diol Formula: C15H23N2O6S+ MolecularWeight: 359.41792

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(CO)O)S(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

C1CN(CC[NH+]1C[C@H](CO)O)S(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C15H22N2O6S/c18-11-12(19)10-16-3-5-17(6-4-16)24(20,21)13-1-2-14-15(9-13)23-8-7-22-14/h1-2,9,12,18-19H,3-8,10-11H2/p+1/t12-/m1/s1