[4-[3-(3-fluoranylphenoxy)propanoylamino]phenyl]methylazanium

Systemtic Name: [4-[3-(3-fluoranylphenoxy)propanoylamino]phenyl]methylazanium Openeye Name: [4-[3-(3-fluorophenoxy)propanoylamino]phenyl]methylammonium CAS Name: [4-[[3-(3-fluorophenoxy)-1-oxopropyl]amino]phenyl]methylammonium IUPAC Name: [4-[3-(3-fluorophenoxy)propanoylamino]phenyl]methylazanium Traditional Name: [4-[3-(3-fluorophenoxy)propanoylamino]benzyl]ammonium Formula: C16H18FN2O2+ MolecularWeight: 289.324723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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