1-[2-[(4-bromanyl-1H-pyrrol-2-yl)carbonyloxy]ethyl]pyridin-1-ium-3-carboxylate

Systemtic Name: 1-[2-[(4-bromanyl-1H-pyrrol-2-yl)carbonyloxy]ethyl]pyridin-1-ium-3-carboxylate Openeye Name: 1-[2-(4-bromo-1H-pyrrole-2-carbonyl)oxyethyl]pyridin-1-ium-3-carboxylate CAS Name: 1-[2-[(4-bromo-1H-pyrrol-2-yl)-oxomethoxy]ethyl]-3-pyridin-1-iumcarboxylate IUPAC Name: 1-[2-(4-bromo-1H-pyrrole-2-carbonyl)oxyethyl]pyridin-1-ium-3-carboxylate Traditional Name: 1-[2-(4-bromo-1H-pyrrole-2-carbonyl)oxyethyl]pyridin-1-ium-3-carboxylate Formula: C13H11BrN2O4 MolecularWeight: 339.14144

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)CCOC(=O)C2=CC(=CN2)Br)C(=O)[O-]

Isomeric SMILES

C1=CC(=C[N+](=C1)CCOC(=O)C2=CC(=CN2)Br)C(=O)[O-]

InChI

InChI=1S/C13H11BrN2O4/c14-10-6-11(15-7-10)13(19)20-5-4-16-3-1-2-9(8-16)12(17)18/h1-3,6-8H,4-5H2,(H-,15,17,18,19)