3,4-dimethoxy-N-pyridin-1-ium-3-yl-benzenesulfonamide

Systemtic Name: 3,4-dimethoxy-N-pyridin-1-ium-3-yl-benzenesulfonamide Openeye Name: 3,4-dimethoxy-N-pyridin-1-ium-3-yl-benzenesulfonamide CAS Name: 3,4-dimethoxy-N-(3-pyridin-1-iumyl)benzenesulfonamide IUPAC Name: 3,4-dimethoxy-N-pyridin-1-ium-3-ylbenzenesulfonamide Traditional Name: 3,4-dimethoxy-N-pyridin-1-ium-3-yl-benzenesulfonamide Formula: C13H15N2O4S+ MolecularWeight: 295.3342

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NC2=C[NH+]=CC=C2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NC2=C[NH+]=CC=C2)OC

InChI

InChI=1S/C13H14N2O4S/c1-18-12-6-5-11(8-13(12)19-2)20(16,17)15-10-4-3-7-14-9-10/h3-9,15H,1-2H3/p+1