[5-bromanyl-2-[(4-fluorophenyl)methoxy]phenyl]methyl-(phenylmethyl)azanium

Systemtic Name: [5-bromanyl-2-[(4-fluorophenyl)methoxy]phenyl]methyl-(phenylmethyl)azanium Openeye Name: benzyl-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]ammonium CAS Name: [5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]azanium Traditional Name: benzyl-[5-bromo-2-(4-fluorobenzyl)oxy-benzyl]ammonium Formula: C21H20BrFNO+ MolecularWeight: 401.292003

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[NH2+]CC2=C(C=CC(=C2)Br)OCC3=CC=C(C=C3)F

Isomeric SMILES

C1=CC=C(C=C1)C[NH2+]CC2=C(C=CC(=C2)Br)OCC3=CC=C(C=C3)F

InChI

InChI=1S/C21H19BrFNO/c22-19-8-11-21(25-15-17-6-9-20(23)10-7-17)18(12-19)14-24-13-16-4-2-1-3-5-16/h1-12,24H,13-15H2/p+1