N-[[2-(dimethylamino)pyridin-1-ium-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-[[2-(dimethylamino)pyridin-1-ium-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[[2-(dimethylamino)pyridin-1-ium-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[[2-(dimethylamino)-3-pyridin-1-iumyl]methyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[[2-(dimethylamino)pyridin-1-ium-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[[2-(dimethylamino)pyridin-1-ium-3-yl]methyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C16H20N3O4S+ MolecularWeight: 350.4127

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=CC=[NH+]1)CNS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CN(C)C1=C(C=CC=[NH+]1)CNS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C16H19N3O4S/c1-19(2)16-12(4-3-7-17-16)11-18-24(20,21)13-5-6-14-15(10-13)23-9-8-22-14/h3-7,10,18H,8-9,11H2,1-2H3/p+1