ethyl 1-(2-ethoxy-2-oxidanylidene-ethyl)pyridin-1-ium-2-carboxylate bromide

Systemtic Name: ethyl 1-(2-ethoxy-2-oxidanylidene-ethyl)pyridin-1-ium-2-carboxylate bromide Openeye Name: ethyl 1-(2-ethoxy-2-oxo-ethyl)pyridin-1-ium-2-carboxylate bromide CAS Name: 1-(2-ethoxy-2-oxoethyl)-2-pyridin-1-iumcarboxylic acid ethyl ester bromide IUPAC Name: ethyl 1-(2-ethoxy-2-oxoethyl)pyridin-1-ium-2-carboxylate bromide Traditional Name: 1-(2-ethoxy-2-keto-ethyl)pyridin-1-ium-2-carboxylic acid ethyl ester bromide Formula: C12H16BrNO4 MolecularWeight: 318.16374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]1=CC=CC=C1C(=O)OCC.[Br-]

Isomeric SMILES

CCOC(=O)C[N+]1=CC=CC=C1C(=O)OCC.[Br-]

InChI

InChI=1S/C12H16NO4.BrH/c1-3-16-11(14)9-13-8-6-5-7-10(13)12(15)17-4-2;/h5-8H,3-4,9H2,1-2H3;1H/q+1;/p-1