5-[(2-fluorophenyl)methylamino]-2-morpholin-4-ium-4-yl-benzoate

Systemtic Name: 5-[(2-fluorophenyl)methylamino]-2-morpholin-4-ium-4-yl-benzoate Openeye Name: 5-[(2-fluorophenyl)methylamino]-2-morpholin-4-ium-4-yl-benzoate CAS Name: 5-[(2-fluorophenyl)methylamino]-2-(4-morpholin-4-iumyl)benzoate IUPAC Name: 5-[(2-fluorophenyl)methylamino]-2-morpholin-4-ium-4-ylbenzoate Traditional Name: 5-[(2-fluorobenzyl)amino]-2-morpholin-4-ium-4-yl-benzoate Formula: C18H19FN2O3 MolecularWeight: 330.353463

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C2=C(C=C(C=C2)NCC3=CC=CC=C3F)C(=O)[O-]

Isomeric SMILES

C1COCC[NH+]1C2=C(C=C(C=C2)NCC3=CC=CC=C3F)C(=O)[O-]

InChI

InChI=1S/C18H19FN2O3/c19-16-4-2-1-3-13(16)12-20-14-5-6-17(15(11-14)18(22)23)21-7-9-24-10-8-21/h1-6,11,20H,7-10,12H2,(H,22,23)