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

Systemtic Name: 3-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]propylazanium Openeye Name: 3-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]propylammonium CAS Name: 3-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]propylammonium IUPAC Name: 3-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]propylazanium Traditional Name: 3-[2,3-dihydro-1,4-benzodioxin-6-yl(mesyl)amino]propylammonium Formula: C12H19N2O4S+ MolecularWeight: 287.35526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N2O4S/c1-19(15,16)14(6-2-5-13)10-3-4-11-12(9-10)18-8-7-17-11/h3-4,9H,2,5-8,13H2,1H3/p+1