N-pyridin-1-ium-3-yl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-pyridin-1-ium-3-yl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-pyridin-1-ium-3-yl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-(3-pyridin-1-iumyl)-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-pyridin-1-ium-3-yl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-pyridin-1-ium-3-yl-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C13H13N2O4S+ MolecularWeight: 293.31832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NC3=C[NH+]=CC=C3

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NC3=C[NH+]=CC=C3

InChI

InChI=1S/C13H12N2O4S/c16-20(17,15-10-2-1-5-14-9-10)11-3-4-12-13(8-11)19-7-6-18-12/h1-5,8-9,15H,6-7H2/p+1