ethyl 5,5-dimethyl-2-oxidanylidene-4-(pyridin-1-ium-1-ylmethyl)furan-3-carboxylate

Systemtic Name: ethyl 5,5-dimethyl-2-oxidanylidene-4-(pyridin-1-ium-1-ylmethyl)furan-3-carboxylate Openeye Name: ethyl 5,5-dimethyl-2-oxo-4-(pyridin-1-ium-1-ylmethyl)furan-3-carboxylate CAS Name: 5,5-dimethyl-2-oxo-4-(1-pyridin-1-iumylmethyl)-3-furancarboxylic acid ethyl ester IUPAC Name: ethyl 5,5-dimethyl-2-oxo-4-(pyridin-1-ium-1-ylmethyl)furan-3-carboxylate Traditional Name: 2-keto-5,5-dimethyl-4-(pyridin-1-ium-1-ylmethyl)furan-3-carboxylic acid ethyl ester Formula: C15H18NO4+ MolecularWeight: 276.30772

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(OC1=O)(C)C)C[N+]2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C(C(OC1=O)(C)C)C[N+]2=CC=CC=C2

InChI

InChI=1S/C15H18NO4/c1-4-19-13(17)12-11(15(2,3)20-14(12)18)10-16-8-6-5-7-9-16/h5-9H,4,10H2,1-3H3/q+1