ethyl 2,6-dimethyl-4-oxidanylidene-1-pentyl-1H-pyridin-1-ium-3-carboxylate

Systemtic Name: ethyl 2,6-dimethyl-4-oxidanylidene-1-pentyl-1H-pyridin-1-ium-3-carboxylate Openeye Name: ethyl 2,6-dimethyl-4-oxo-1-pentyl-1H-pyridin-1-ium-3-carboxylate CAS Name: 2,6-dimethyl-4-oxo-1-pentyl-1H-pyridin-1-ium-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,6-dimethyl-4-oxo-1-pentyl-1H-pyridin-1-ium-3-carboxylate Traditional Name: 1-amyl-4-keto-2,6-dimethyl-1H-pyridin-1-ium-3-carboxylic acid ethyl ester Formula: C15H24NO3+ MolecularWeight: 266.35596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[NH+]1C(=CC(=O)C(=C1C)C(=O)OCC)C

Isomeric SMILES

CCCCC[NH+]1C(=CC(=O)C(=C1C)C(=O)OCC)C

InChI

InChI=1S/C15H23NO3/c1-5-7-8-9-16-11(3)10-13(17)14(12(16)4)15(18)19-6-2/h10H,5-9H2,1-4H3/p+1