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

Systemtic Name: [3-bromanyl-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl-phenethyl-azanium Openeye Name: [3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl-phenethyl-ammonium CAS Name: [3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl-phenethylammonium IUPAC Name: [3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl-phenethylazanium Traditional Name: [3-bromo-5-ethoxy-4-(4-fluorobenzyl)oxy-benzyl]-phenethyl-ammonium Formula: C24H26BrFNO2+ MolecularWeight: 459.371143

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]CCC2=CC=CC=C2)Br)OCC3=CC=C(C=C3)F

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]CCC2=CC=CC=C2)Br)OCC3=CC=C(C=C3)F

InChI

InChI=1S/C24H25BrFNO2/c1-2-28-23-15-20(16-27-13-12-18-6-4-3-5-7-18)14-22(25)24(23)29-17-19-8-10-21(26)11-9-19/h3-11,14-15,27H,2,12-13,16-17H2,1H3/p+1