[3-bromanyl-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl-(3-imidazol-1-ylpropyl)azanium

Systemtic Name: [3-bromanyl-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl-(3-imidazol-1-ylpropyl)azanium Openeye Name: [3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl-(3-imidazol-1-ylpropyl)ammonium CAS Name: [3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl-[3-(1-imidazolyl)propyl]ammonium IUPAC Name: [3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl-(3-imidazol-1-ylpropyl)azanium Traditional Name: [3-bromo-5-ethoxy-4-(4-fluorobenzyl)oxy-benzyl]-(3-imidazol-1-ylpropyl)ammonium Formula: C22H26BrFN3O2+ MolecularWeight: 463.363143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]CCCN2C=CN=C2)Br)OCC3=CC=C(C=C3)F

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]CCCN2C=CN=C2)Br)OCC3=CC=C(C=C3)F

InChI

InChI=1S/C22H25BrFN3O2/c1-2-28-21-13-18(14-25-8-3-10-27-11-9-26-16-27)12-20(23)22(21)29-15-17-4-6-19(24)7-5-17/h4-7,9,11-13,16,25H,2-3,8,10,14-15H2,1H3/p+1