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

Systemtic Name: ethyl 1-hexyl-2,6-dimethyl-4-oxidanylidene-1H-pyridin-1-ium-3-carboxylate Openeye Name: ethyl 1-hexyl-2,6-dimethyl-4-oxo-1H-pyridin-1-ium-3-carboxylate CAS Name: 1-hexyl-2,6-dimethyl-4-oxo-1H-pyridin-1-ium-3-carboxylic acid ethyl ester IUPAC Name: ethyl 1-hexyl-2,6-dimethyl-4-oxo-1H-pyridin-1-ium-3-carboxylate Traditional Name: 1-hexyl-4-keto-2,6-dimethyl-1H-pyridin-1-ium-3-carboxylic acid ethyl ester Formula: C16H26NO3+ MolecularWeight: 280.38254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25NO3/c1-5-7-8-9-10-17-12(3)11-14(18)15(13(17)4)16(19)20-6-2/h11H,5-10H2,1-4H3/p+1