N-[[2-(dimethylamino)pyridin-1-ium-3-yl]methyl]-2,5-dimethoxy-benzenesulfonamide

Systemtic Name: N-[[2-(dimethylamino)pyridin-1-ium-3-yl]methyl]-2,5-dimethoxy-benzenesulfonamide Openeye Name: N-[[2-(dimethylamino)pyridin-1-ium-3-yl]methyl]-2,5-dimethoxy-benzenesulfonamide CAS Name: N-[[2-(dimethylamino)-3-pyridin-1-iumyl]methyl]-2,5-dimethoxybenzenesulfonamide IUPAC Name: N-[[2-(dimethylamino)pyridin-1-ium-3-yl]methyl]-2,5-dimethoxybenzenesulfonamide Traditional Name: N-[[2-(dimethylamino)pyridin-1-ium-3-yl]methyl]-2,5-dimethoxy-benzenesulfonamide Formula: C16H22N3O4S+ MolecularWeight: 352.42858

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=CC=[NH+]1)CNS(=O)(=O)C2=C(C=CC(=C2)OC)OC

Isomeric SMILES

CN(C)C1=C(C=CC=[NH+]1)CNS(=O)(=O)C2=C(C=CC(=C2)OC)OC

InChI

InChI=1S/C16H21N3O4S/c1-19(2)16-12(6-5-9-17-16)11-18-24(20,21)15-10-13(22-3)7-8-14(15)23-4/h5-10,18H,11H2,1-4H3/p+1