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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO3/c1-6-14-9(4)7-11(15)12(10(14)5)13(16)17-8(2)3/h7-8H,6H2,1-5H3/p+1