5-[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]-2-morpholin-4-ium-4-yl-benzoate

Systemtic Name: 5-[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]-2-morpholin-4-ium-4-yl-benzoate Openeye Name: 5-[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]-2-morpholin-4-ium-4-yl-benzoate CAS Name: 5-[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]-2-(4-morpholin-4-iumyl)benzoate IUPAC Name: 5-[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]-2-morpholin-4-ium-4-ylbenzoate Traditional Name: 5-[[3-(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=C3)OCC4=CC=CC=C4F)C(=O)[O-]

Isomeric SMILES

C1COCC[NH+]1C2=C(C=C(C=C2)NCC3=CC(=CC=C3)OCC4=CC=CC=C4F)C(=O)[O-]

InChI

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