ethyl 1-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]oxyethyl]pyridin-1-ium-3-carboxylate bromide

Systemtic Name: ethyl 1-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]oxyethyl]pyridin-1-ium-3-carboxylate bromide Openeye Name: ethyl 1-[2-(1,3-dioxoisoindolin-2-yl)oxyethyl]pyridin-1-ium-3-carboxylate bromide CAS Name: 1-[2-[(1,3-dioxo-2-isoindolyl)oxy]ethyl]-3-pyridin-1-iumcarboxylic acid ethyl ester bromide IUPAC Name: ethyl 1-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]pyridin-1-ium-3-carboxylate bromide Traditional Name: 1-(2-phthalimidooxyethyl)pyridin-1-ium-3-carboxylic acid ethyl ester bromide Formula: C18H17BrN2O5 MolecularWeight: 421.24198

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C[N+](=CC=C1)CCON2C(=O)C3=CC=CC=C3C2=O.[Br-]

Isomeric SMILES

CCOC(=O)C1=C[N+](=CC=C1)CCON2C(=O)C3=CC=CC=C3C2=O.[Br-]

InChI

InChI=1S/C18H17N2O5.BrH/c1-2-24-18(23)13-6-5-9-19(12-13)10-11-25-20-16(21)14-7-3-4-8-15(14)17(20)22;/h3-9,12H,2,10-11H2,1H3;1H/q+1;/p-1