2-(pyridin-1-ium-3-ylcarbonylamino)ethyl 4-fluoranylbenzoate chloride

Systemtic Name: 2-(pyridin-1-ium-3-ylcarbonylamino)ethyl 4-fluoranylbenzoate chloride Openeye Name: 2-(pyridin-1-ium-3-carbonylamino)ethyl 4-fluorobenzoate chloride CAS Name: 4-fluorobenzoic acid 2-[[oxo(3-pyridin-1-iumyl)methyl]amino]ethyl ester chloride IUPAC Name: 2-(pyridin-1-ium-3-carbonylamino)ethyl 4-fluorobenzoate chloride Traditional Name: 4-fluorobenzoic acid 2-(pyridin-1-ium-3-carbonylamino)ethyl ester chloride Formula: C15H14ClFN2O3 MolecularWeight: 324.734663

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[NH+]=C1)C(=O)NCCOC(=O)C2=CC=C(C=C2)F.[Cl-]

Isomeric SMILES

C1=CC(=C[NH+]=C1)C(=O)NCCOC(=O)C2=CC=C(C=C2)F.[Cl-]

InChI

InChI=1S/C15H13FN2O3.ClH/c16-13-5-3-11(4-6-13)15(20)21-9-8-18-14(19)12-2-1-7-17-10-12;/h1-7,10H,8-9H2,(H,18,19);1H