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

Systemtic Name: propan-2-yl 2,6-dimethyl-4-oxidanylidene-1-propyl-1H-pyridin-1-ium-3-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C14H22NO3+ MolecularWeight: 252.32938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21NO3/c1-6-7-15-10(4)8-12(16)13(11(15)5)14(17)18-9(2)3/h8-9H,6-7H2,1-5H3/p+1