[3-bromanyl-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl-butyl-azanium

Systemtic Name: [3-bromanyl-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl-butyl-azanium Openeye Name: [3-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl-butyl-ammonium CAS Name: [3-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl-butylammonium IUPAC Name: [3-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl-butylazanium Traditional Name: [3-bromo-5-ethoxy-4-(2-fluorobenzyl)oxy-benzyl]-butyl-ammonium Formula: C20H26BrFNO2+ MolecularWeight: 411.328343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH2+]CC1=CC(=C(C(=C1)Br)OCC2=CC=CC=C2F)OCC

Isomeric SMILES

CCCC[NH2+]CC1=CC(=C(C(=C1)Br)OCC2=CC=CC=C2F)OCC

InChI

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