1-[2-(1H-pyrrol-2-ylcarbonyloxy)ethyl]pyridin-1-ium-3-carboxylic acid

Systemtic Name: 1-[2-(1H-pyrrol-2-ylcarbonyloxy)ethyl]pyridin-1-ium-3-carboxylic acid Openeye Name: 1-[2-(1H-pyrrole-2-carbonyloxy)ethyl]pyridin-1-ium-3-carboxylic acid CAS Name: 1-[2-[oxo(1H-pyrrol-2-yl)methoxy]ethyl]-3-pyridin-1-iumcarboxylic acid IUPAC Name: 1-[2-(1H-pyrrole-2-carbonyloxy)ethyl]pyridin-1-ium-3-carboxylic acid Traditional Name: 1-[2-(1H-pyrrole-2-carbonyloxy)ethyl]pyridin-1-ium-3-carboxylic acid Formula: C13H13N2O4+ MolecularWeight: 261.25332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O4/c16-12(17)10-3-2-6-15(9-10)7-8-19-13(18)11-4-1-5-14-11/h1-6,9H,7-8H2,(H-,14,16,17,18)/p+1