2-(phenylcarbonyloxy)ethyl 1-(2-ethoxy-2-oxidanylidene-ethyl)pyridin-1-ium-3-carboxylate bromide

Systemtic Name: 2-(phenylcarbonyloxy)ethyl 1-(2-ethoxy-2-oxidanylidene-ethyl)pyridin-1-ium-3-carboxylate bromide Openeye Name: 2-benzoyloxyethyl 1-(2-ethoxy-2-oxo-ethyl)pyridin-1-ium-3-carboxylate bromide CAS Name: 1-(2-ethoxy-2-oxoethyl)-3-pyridin-1-iumcarboxylic acid 2-benzoyloxyethyl ester bromide IUPAC Name: 2-benzoyloxyethyl 1-(2-ethoxy-2-oxoethyl)pyridin-1-ium-3-carboxylate bromide Traditional Name: 1-(2-ethoxy-2-keto-ethyl)pyridin-1-ium-3-carboxylic acid 2-benzoyloxyethyl ester bromide Formula: C19H20BrNO6 MolecularWeight: 438.2692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]1=CC=CC(=C1)C(=O)OCCOC(=O)C2=CC=CC=C2.[Br-]

Isomeric SMILES

CCOC(=O)C[N+]1=CC=CC(=C1)C(=O)OCCOC(=O)C2=CC=CC=C2.[Br-]

InChI

InChI=1S/C19H20NO6.BrH/c1-2-24-17(21)14-20-10-6-9-16(13-20)19(23)26-12-11-25-18(22)15-7-4-3-5-8-15;/h3-10,13H,2,11-12,14H2,1H3;1H/q+1;/p-1