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

Systemtic Name: 5-[[2-[(2-fluorophenyl)methoxy]phenyl]methylamino]-2-morpholin-4-ium-4-yl-benzoate Openeye Name: 5-[[2-[(2-fluorophenyl)methoxy]phenyl]methylamino]-2-morpholin-4-ium-4-yl-benzoate CAS Name: 5-[[2-[(2-fluorophenyl)methoxy]phenyl]methylamino]-2-(4-morpholin-4-iumyl)benzoate IUPAC Name: 5-[[2-[(2-fluorophenyl)methoxy]phenyl]methylamino]-2-morpholin-4-ium-4-ylbenzoate Traditional Name: 5-[[2-(2-fluorobenzyl)oxybenzyl]amino]-2-morpholin-4-ium-4-yl-benzoate Formula: C25H25FN2O4 MolecularWeight: 436.475403

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C2=C(C=C(C=C2)NCC3=CC=CC=C3OCC4=CC=CC=C4F)C(=O)[O-]

Isomeric SMILES

C1COCC[NH+]1C2=C(C=C(C=C2)NCC3=CC=CC=C3OCC4=CC=CC=C4F)C(=O)[O-]

InChI

InChI=1S/C25H25FN2O4/c26-22-7-3-1-6-19(22)17-32-24-8-4-2-5-18(24)16-27-20-9-10-23(21(15-20)25(29)30)28-11-13-31-14-12-28/h1-10,15,27H,11-14,16-17H2,(H,29,30)