tert-butyl 1-methylpyridin-1-ium-3-carboxylate

Systemtic Name: tert-butyl 1-methylpyridin-1-ium-3-carboxylate Openeye Name: tert-butyl 1-methylpyridin-1-ium-3-carboxylate CAS Name: 1-methyl-3-pyridin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-methylpyridin-1-ium-3-carboxylate Traditional Name: 1-methylpyridin-1-ium-3-carboxylic acid tert-butyl ester Formula: C11H16NO2+ MolecularWeight: 194.25024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C[N+](=CC=C1)C

Isomeric SMILES

CC(C)(C)OC(=O)C1=C[N+](=CC=C1)C

InChI

InChI=1S/C11H16NO2/c1-11(2,3)14-10(13)9-6-5-7-12(4)8-9/h5-8H,1-4H3/q+1