2,2-dimethyl-6-oxidanyl-5-(pyridin-1-ium-1-ylmethyl)-1,3-dioxin-4-one hydroxide

Systemtic Name: 2,2-dimethyl-6-oxidanyl-5-(pyridin-1-ium-1-ylmethyl)-1,3-dioxin-4-one hydroxide Openeye Name: 6-hydroxy-2,2-dimethyl-5-(pyridin-1-ium-1-ylmethyl)-1,3-dioxin-4-one hydroxide CAS Name: 6-hydroxy-2,2-dimethyl-5-(1-pyridin-1-iumylmethyl)-1,3-dioxin-4-one hydroxide IUPAC Name: 6-hydroxy-2,2-dimethyl-5-(pyridin-1-ium-1-ylmethyl)-1,3-dioxin-4-one hydroxide Traditional Name: 6-hydroxy-2,2-dimethyl-5-(pyridin-1-ium-1-ylmethyl)-1,3-dioxin-4-one hydroxide Formula: C12H15NO5 MolecularWeight: 253.2512

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(=C(C(=O)O1)C[N+]2=CC=CC=C2)O)C.[OH-]

Isomeric SMILES

CC1(OC(=C(C(=O)O1)C[N+]2=CC=CC=C2)O)C.[OH-]

InChI

InChI=1S/C12H13NO4.H2O/c1-12(2)16-10(14)9(11(15)17-12)8-13-6-4-3-5-7-13;/h3-7H,8H2,1-2H3;1H2