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

Systemtic Name: 2,2-dimethyl-4-oxidanyl-5-(pyridin-1-ium-1-ylmethyl)-4H-1,3-dioxin-6-olate Openeye Name: 4-hydroxy-2,2-dimethyl-5-(pyridin-1-ium-1-ylmethyl)-4H-1,3-dioxin-6-olate CAS Name: 4-hydroxy-2,2-dimethyl-5-(1-pyridin-1-iumylmethyl)-4H-1,3-dioxin-6-olate IUPAC Name: 4-hydroxy-2,2-dimethyl-5-(pyridin-1-ium-1-ylmethyl)-4H-1,3-dioxin-6-olate Traditional Name: 4-hydroxy-2,2-dimethyl-5-(pyridin-1-ium-1-ylmethyl)-4H-1,3-dioxin-6-olate Formula: C12H15NO4 MolecularWeight: 237.2518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO4/c1-12(2)16-10(14)9(11(15)17-12)8-13-6-4-3-5-7-13/h3-7,10,14H,8H2,1-2H3