ethyl 2-[1-(2-methoxy-2-oxidanylidene-ethyl)-3-phenylmethoxy-pyridin-1-ium-2-yl]ethanoate bromide

Systemtic Name: ethyl 2-[1-(2-methoxy-2-oxidanylidene-ethyl)-3-phenylmethoxy-pyridin-1-ium-2-yl]ethanoate bromide Openeye Name: ethyl 2-[3-benzyloxy-1-(2-methoxy-2-oxo-ethyl)pyridin-1-ium-2-yl]acetate bromide CAS Name: 2-[1-(2-methoxy-2-oxoethyl)-3-phenylmethoxy-2-pyridin-1-iumyl]acetic acid ethyl ester bromide IUPAC Name: ethyl 2-[1-(2-methoxy-2-oxoethyl)-3-phenylmethoxypyridin-1-ium-2-yl]acetate bromide Traditional Name: 2-[3-benzoxy-1-(2-keto-2-methoxy-ethyl)pyridin-1-ium-2-yl]acetic acid ethyl ester bromide Formula: C19H22BrNO5 MolecularWeight: 424.28568

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=C(C=CC=[N+]1CC(=O)OC)OCC2=CC=CC=C2.[Br-]

Isomeric SMILES

CCOC(=O)CC1=C(C=CC=[N+]1CC(=O)OC)OCC2=CC=CC=C2.[Br-]

InChI

InChI=1S/C19H22NO5.BrH/c1-3-24-18(21)12-16-17(25-14-15-8-5-4-6-9-15)10-7-11-20(16)13-19(22)23-2;/h4-11H,3,12-14H2,1-2H3;1H/q+1;/p-1