3-[2,3-dihydro-1,4-benzodioxin-6-yl(ethylsulfonyl)amino]propylazanium

Systemtic Name: 3-[2,3-dihydro-1,4-benzodioxin-6-yl(ethylsulfonyl)amino]propylazanium Openeye Name: 3-[2,3-dihydro-1,4-benzodioxin-6-yl(ethylsulfonyl)amino]propylammonium CAS Name: 3-[2,3-dihydro-1,4-benzodioxin-6-yl(ethylsulfonyl)amino]propylammonium IUPAC Name: 3-[2,3-dihydro-1,4-benzodioxin-6-yl(ethylsulfonyl)amino]propylazanium Traditional Name: 3-[2,3-dihydro-1,4-benzodioxin-6-yl(esyl)amino]propylammonium Formula: C13H21N2O4S+ MolecularWeight: 301.38184

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N(CCC[NH3+])C1=CC2=C(C=C1)OCCO2

Isomeric SMILES

CCS(=O)(=O)N(CCC[NH3+])C1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C13H20N2O4S/c1-2-20(16,17)15(7-3-6-14)11-4-5-12-13(10-11)19-9-8-18-12/h4-5,10H,2-3,6-9,14H2,1H3/p+1