(3-bromanyl-4-phenylmethoxy-phenyl)methyl-[(4-fluorophenyl)methyl]azanium

Systemtic Name: (3-bromanyl-4-phenylmethoxy-phenyl)methyl-[(4-fluorophenyl)methyl]azanium Openeye Name: (4-benzyloxy-3-bromo-phenyl)methyl-[(4-fluorophenyl)methyl]ammonium CAS Name: (3-bromo-4-phenylmethoxyphenyl)methyl-[(4-fluorophenyl)methyl]ammonium IUPAC Name: (3-bromo-4-phenylmethoxyphenyl)methyl-[(4-fluorophenyl)methyl]azanium Traditional Name: (4-benzoxy-3-bromo-benzyl)-(4-fluorobenzyl)ammonium Formula: C21H20BrFNO+ MolecularWeight: 401.292003

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2)C[NH2+]CC3=CC=C(C=C3)F)Br

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)C[NH2+]CC3=CC=C(C=C3)F)Br

InChI

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