[3-bromanyl-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl-tert-butyl-azanium

Systemtic Name: [3-bromanyl-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl-tert-butyl-azanium Openeye Name: [3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl-tert-butyl-ammonium CAS Name: [3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl-tert-butylammonium IUPAC Name: [3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl-tert-butylazanium Traditional Name: [3-bromo-5-ethoxy-4-(4-fluorobenzyl)oxy-benzyl]-tert-butyl-ammonium Formula: C20H26BrFNO2+ MolecularWeight: 411.328343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]C(C)(C)C)Br)OCC2=CC=C(C=C2)F

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]C(C)(C)C)Br)OCC2=CC=C(C=C2)F

InChI

InChI=1S/C20H25BrFNO2/c1-5-24-18-11-15(12-23-20(2,3)4)10-17(21)19(18)25-13-14-6-8-16(22)9-7-14/h6-11,23H,5,12-13H2,1-4H3/p+1