[3-[(2,5-dimethylphenoxy)methyl]-4-fluoranyl-phenyl]methylazanium

Systemtic Name: [3-[(2,5-dimethylphenoxy)methyl]-4-fluoranyl-phenyl]methylazanium Openeye Name: [3-[(2,5-dimethylphenoxy)methyl]-4-fluoro-phenyl]methylammonium CAS Name: [3-[(2,5-dimethylphenoxy)methyl]-4-fluorophenyl]methylammonium IUPAC Name: [3-[(2,5-dimethylphenoxy)methyl]-4-fluorophenyl]methylazanium Traditional Name: [3-[(2,5-dimethylphenoxy)methyl]-4-fluoro-benzyl]ammonium Formula: C16H19FNO+ MolecularWeight: 260.326563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCC2=C(C=CC(=C2)C[NH3+])F

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCC2=C(C=CC(=C2)C[NH3+])F

InChI

InChI=1S/C16H18FNO/c1-11-3-4-12(2)16(7-11)19-10-14-8-13(9-18)5-6-15(14)17/h3-8H,9-10,18H2,1-2H3/p+1