ethyl 1-(3,3-dimethyl-2-oxidanylidene-butyl)pyridin-1-ium-2-carboxylate

Systemtic Name: ethyl 1-(3,3-dimethyl-2-oxidanylidene-butyl)pyridin-1-ium-2-carboxylate Openeye Name: ethyl 1-(3,3-dimethyl-2-oxo-butyl)pyridin-1-ium-2-carboxylate CAS Name: 1-(3,3-dimethyl-2-oxobutyl)-2-pyridin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3,3-dimethyl-2-oxobutyl)pyridin-1-ium-2-carboxylate Traditional Name: 1-(2-keto-3,3-dimethyl-butyl)pyridin-1-ium-2-carboxylic acid ethyl ester Formula: C14H20NO3+ MolecularWeight: 250.3135

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=[N+]1CC(=O)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CC=CC=[N+]1CC(=O)C(C)(C)C

InChI

InChI=1S/C14H20NO3/c1-5-18-13(17)11-8-6-7-9-15(11)10-12(16)14(2,3)4/h6-9H,5,10H2,1-4H3/q+1