2-[2,3-dihydro-1,4-benzodioxin-6-yl(propylsulfonyl)amino]ethylazanium

Systemtic Name: 2-[2,3-dihydro-1,4-benzodioxin-6-yl(propylsulfonyl)amino]ethylazanium Openeye Name: 2-[2,3-dihydro-1,4-benzodioxin-6-yl(propylsulfonyl)amino]ethylammonium CAS Name: 2-[2,3-dihydro-1,4-benzodioxin-6-yl(propylsulfonyl)amino]ethylammonium IUPAC Name: 2-[2,3-dihydro-1,4-benzodioxin-6-yl(propylsulfonyl)amino]ethylazanium Traditional Name: 2-[2,3-dihydro-1,4-benzodioxin-6-yl(propylsulfonyl)amino]ethylammonium Formula: C13H21N2O4S+ MolecularWeight: 301.38184

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N(CC[NH3+])C1=CC2=C(C=C1)OCCO2

Isomeric SMILES

CCCS(=O)(=O)N(CC[NH3+])C1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C13H20N2O4S/c1-2-9-20(16,17)15(6-5-14)11-3-4-12-13(10-11)19-8-7-18-12/h3-4,10H,2,5-9,14H2,1H3/p+1