5-[(2-chloranyl-6-fluoranyl-phenyl)methylamino]-2-morpholin-4-ium-4-yl-benzoate

Systemtic Name: 5-[(2-chloranyl-6-fluoranyl-phenyl)methylamino]-2-morpholin-4-ium-4-yl-benzoate Openeye Name: 5-[(2-chloro-6-fluoro-phenyl)methylamino]-2-morpholin-4-ium-4-yl-benzoate CAS Name: 5-[(2-chloro-6-fluorophenyl)methylamino]-2-(4-morpholin-4-iumyl)benzoate IUPAC Name: 5-[(2-chloro-6-fluorophenyl)methylamino]-2-morpholin-4-ium-4-ylbenzoate Traditional Name: 5-[(2-chloro-6-fluoro-benzyl)amino]-2-morpholin-4-ium-4-yl-benzoate Formula: C18H18ClFN2O3 MolecularWeight: 364.798523

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C2=C(C=C(C=C2)NCC3=C(C=CC=C3Cl)F)C(=O)[O-]

Isomeric SMILES

C1COCC[NH+]1C2=C(C=C(C=C2)NCC3=C(C=CC=C3Cl)F)C(=O)[O-]

InChI

InChI=1S/C18H18ClFN2O3/c19-15-2-1-3-16(20)14(15)11-21-12-4-5-17(13(10-12)18(23)24)22-6-8-25-9-7-22/h1-5,10,21H,6-9,11H2,(H,23,24)