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

Systemtic Name: [3-bromanyl-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl-(2-hydroxyethyl)azanium Openeye Name: [3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl-(2-hydroxyethyl)ammonium CAS Name: [3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl-(2-hydroxyethyl)ammonium IUPAC Name: [3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl-(2-hydroxyethyl)azanium Traditional Name: [3-bromo-5-ethoxy-4-(4-fluorobenzyl)oxy-benzyl]-(2-hydroxyethyl)ammonium Formula: C18H22BrFNO3+ MolecularWeight: 399.274583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21BrFNO3/c1-2-23-17-10-14(11-21-7-8-22)9-16(19)18(17)24-12-13-3-5-15(20)6-4-13/h3-6,9-10,21-22H,2,7-8,11-12H2,1H3/p+1