[3-[3-(2-fluoranylphenoxy)propanoylamino]phenyl]methylazanium

Systemtic Name: [3-[3-(2-fluoranylphenoxy)propanoylamino]phenyl]methylazanium Openeye Name: [3-[3-(2-fluorophenoxy)propanoylamino]phenyl]methylammonium CAS Name: [3-[[3-(2-fluorophenoxy)-1-oxopropyl]amino]phenyl]methylammonium IUPAC Name: [3-[3-(2-fluorophenoxy)propanoylamino]phenyl]methylazanium Traditional Name: [3-[3-(2-fluorophenoxy)propanoylamino]benzyl]ammonium Formula: C16H18FN2O2+ MolecularWeight: 289.324723

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)OCCC(=O)NC2=CC=CC(=C2)C[NH3+])F

Isomeric SMILES

C1=CC=C(C(=C1)OCCC(=O)NC2=CC=CC(=C2)C[NH3+])F

InChI

InChI=1S/C16H17FN2O2/c17-14-6-1-2-7-15(14)21-9-8-16(20)19-13-5-3-4-12(10-13)11-18/h1-7,10H,8-9,11,18H2,(H,19,20)/p+1