5-[[3-(hydroxymethyl)pyridin-1-ium-1-yl]methyl]-2,2-dimethyl-6-oxidanyl-1,3-dioxin-4-one

Systemtic Name: 5-[[3-(hydroxymethyl)pyridin-1-ium-1-yl]methyl]-2,2-dimethyl-6-oxidanyl-1,3-dioxin-4-one Openeye Name: 6-hydroxy-5-[[3-(hydroxymethyl)pyridin-1-ium-1-yl]methyl]-2,2-dimethyl-1,3-dioxin-4-one CAS Name: 6-hydroxy-5-[[3-(hydroxymethyl)-1-pyridin-1-iumyl]methyl]-2,2-dimethyl-1,3-dioxin-4-one IUPAC Name: 6-hydroxy-5-[[3-(hydroxymethyl)pyridin-1-ium-1-yl]methyl]-2,2-dimethyl-1,3-dioxin-4-one Traditional Name: 6-hydroxy-2,2-dimethyl-5-[(3-methylolpyridin-1-ium-1-yl)methyl]-1,3-dioxin-4-one Formula: C13H16NO5+ MolecularWeight: 266.26984

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(=C(C(=O)O1)C[N+]2=CC=CC(=C2)CO)O)C

Isomeric SMILES

CC1(OC(=C(C(=O)O1)C[N+]2=CC=CC(=C2)CO)O)C

InChI

InChI=1S/C13H15NO5/c1-13(2)18-11(16)10(12(17)19-13)7-14-5-3-4-9(6-14)8-15/h3-6,15H,7-8H2,1-2H3/p+1