ethyl 2-[3-(2-hydroxyethylcarbamoyl)pyridin-1-ium-1-yl]ethanoate bromide

Systemtic Name: ethyl 2-[3-(2-hydroxyethylcarbamoyl)pyridin-1-ium-1-yl]ethanoate bromide Openeye Name: ethyl 2-[3-(2-hydroxyethylcarbamoyl)pyridin-1-ium-1-yl]acetate bromide CAS Name: 2-[3-[(2-hydroxyethylamino)-oxomethyl]-1-pyridin-1-iumyl]acetic acid ethyl ester bromide IUPAC Name: ethyl 2-[3-(2-hydroxyethylcarbamoyl)pyridin-1-ium-1-yl]acetate bromide Traditional Name: 2-[3-(2-hydroxyethylcarbamoyl)pyridin-1-ium-1-yl]acetic acid ethyl ester bromide Formula: C12H17BrN2O4 MolecularWeight: 333.17838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O4.BrH/c1-2-18-11(16)9-14-6-3-4-10(8-14)12(17)13-5-7-15;/h3-4,6,8,15H,2,5,7,9H2,1H3;1H