3-morpholin-4-ium-4-ylpropyl 4-fluoranyl-3-iodanyl-benzoate chloride

Systemtic Name: 3-morpholin-4-ium-4-ylpropyl 4-fluoranyl-3-iodanyl-benzoate chloride Openeye Name: 3-morpholin-4-ium-4-ylpropyl 4-fluoro-3-iodo-benzoate chloride CAS Name: 4-fluoro-3-iodobenzoic acid 3-(4-morpholin-4-iumyl)propyl ester chloride IUPAC Name: 3-morpholin-4-ium-4-ylpropyl 4-fluoro-3-iodobenzoate chloride Traditional Name: 4-fluoro-3-iodo-benzoic acid 3-morpholin-4-ium-4-ylpropyl ester chloride Formula: C14H18ClFINO3 MolecularWeight: 429.653493

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCOC(=O)C2=CC(=C(C=C2)F)I.[Cl-]

Isomeric SMILES

C1COCC[NH+]1CCCOC(=O)C2=CC(=C(C=C2)F)I.[Cl-]

InChI

InChI=1S/C14H17FINO3.ClH/c15-12-3-2-11(10-13(12)16)14(18)20-7-1-4-17-5-8-19-9-6-17;/h2-3,10H,1,4-9H2;1H