ethyl 2-[1-(2-ethoxy-2-oxidanylidene-ethyl)pyridin-1-ium-2-yl]ethanoate bromide

Systemtic Name: ethyl 2-[1-(2-ethoxy-2-oxidanylidene-ethyl)pyridin-1-ium-2-yl]ethanoate bromide Openeye Name: ethyl 2-[1-(2-ethoxy-2-oxo-ethyl)pyridin-1-ium-2-yl]acetate bromide CAS Name: 2-[1-(2-ethoxy-2-oxoethyl)-2-pyridin-1-iumyl]acetic acid ethyl ester bromide IUPAC Name: ethyl 2-[1-(2-ethoxy-2-oxoethyl)pyridin-1-ium-2-yl]acetate bromide Traditional Name: 2-[1-(2-ethoxy-2-keto-ethyl)pyridin-1-ium-2-yl]acetic acid ethyl ester bromide Formula: C13H18BrNO4 MolecularWeight: 332.19032

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CC=CC=[N+]1CC(=O)OCC.[Br-]

Isomeric SMILES

CCOC(=O)CC1=CC=CC=[N+]1CC(=O)OCC.[Br-]

InChI

InChI=1S/C13H18NO4.BrH/c1-3-17-12(15)9-11-7-5-6-8-14(11)10-13(16)18-4-2;/h5-8H,3-4,9-10H2,1-2H3;1H/q+1;/p-1