(3R)-N-(3-oxidanylpyridin-1-ium-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: (3R)-N-(3-oxidanylpyridin-1-ium-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: (3R)-N-(3-hydroxypyridin-1-ium-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: (3R)-N-(3-hydroxy-2-pyridin-1-iumyl)-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: (3R)-N-(3-hydroxypyridin-1-ium-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: (3R)-N-(3-hydroxypyridin-1-ium-2-yl)-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C14H13N2O4+ MolecularWeight: 273.26402

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)C(=O)NC3=C(C=CC=[NH+]3)O

Isomeric SMILES

C1[C@@H](OC2=CC=CC=C2O1)C(=O)NC3=C(C=CC=[NH+]3)O

InChI

InChI=1S/C14H12N2O4/c17-9-4-3-7-15-13(9)16-14(18)12-8-19-10-5-1-2-6-11(10)20-12/h1-7,12,17H,8H2,(H,15,16,18)/p+1/t12-/m1/s1