[3-fluoranyl-4-[(5-methyl-2-propan-2-yl-phenoxy)methyl]phenyl]methylazanium

Systemtic Name: [3-fluoranyl-4-[(5-methyl-2-propan-2-yl-phenoxy)methyl]phenyl]methylazanium Openeye Name: [3-fluoro-4-[(2-isopropyl-5-methyl-phenoxy)methyl]phenyl]methylammonium CAS Name: [3-fluoro-4-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]methylammonium IUPAC Name: [3-fluoro-4-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]methylazanium Traditional Name: [3-fluoro-4-[(2-isopropyl-5-methyl-phenoxy)methyl]benzyl]ammonium Formula: C18H23FNO+ MolecularWeight: 288.379723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22FNO/c1-12(2)16-7-4-13(3)8-18(16)21-11-15-6-5-14(10-20)9-17(15)19/h4-9,12H,10-11,20H2,1-3H3/p+1