(phenylmethyl) 1-butyl-2,6-dimethyl-4-oxidanylidene-1H-pyridin-1-ium-3-carboxylate

Systemtic Name: (phenylmethyl) 1-butyl-2,6-dimethyl-4-oxidanylidene-1H-pyridin-1-ium-3-carboxylate Openeye Name: benzyl 1-butyl-2,6-dimethyl-4-oxo-1H-pyridin-1-ium-3-carboxylate CAS Name: 1-butyl-2,6-dimethyl-4-oxo-1H-pyridin-1-ium-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-butyl-2,6-dimethyl-4-oxo-1H-pyridin-1-ium-3-carboxylate Traditional Name: 1-butyl-4-keto-2,6-dimethyl-1H-pyridin-1-ium-3-carboxylic acid benzyl ester Formula: C19H24NO3+ MolecularWeight: 314.39876

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+]1C(=CC(=O)C(=C1C)C(=O)OCC2=CC=CC=C2)C

Isomeric SMILES

CCCC[NH+]1C(=CC(=O)C(=C1C)C(=O)OCC2=CC=CC=C2)C

InChI

InChI=1S/C19H23NO3/c1-4-5-11-20-14(2)12-17(21)18(15(20)3)19(22)23-13-16-9-7-6-8-10-16/h6-10,12H,4-5,11,13H2,1-3H3/p+1