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

Systemtic Name: ethyl 2,6-dimethyl-4-oxidanylidene-1-propyl-1H-pyridin-1-ium-3-carboxylate Openeye Name: ethyl 2,6-dimethyl-4-oxo-1-propyl-1H-pyridin-1-ium-3-carboxylate CAS Name: 2,6-dimethyl-4-oxo-1-propyl-1H-pyridin-1-ium-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,6-dimethyl-4-oxo-1-propyl-1H-pyridin-1-ium-3-carboxylate Traditional Name: 4-keto-2,6-dimethyl-1-propyl-1H-pyridin-1-ium-3-carboxylic acid ethyl ester Formula: C13H20NO3+ MolecularWeight: 238.3028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO3/c1-5-7-14-9(3)8-11(15)12(10(14)4)13(16)17-6-2/h8H,5-7H2,1-4H3/p+1