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

Systemtic Name: (5-bromanyl-3-methoxy-2-phenylmethoxy-phenyl)methyl-[(4-fluorophenyl)methyl]azanium Openeye Name: (2-benzyloxy-5-bromo-3-methoxy-phenyl)methyl-[(4-fluorophenyl)methyl]ammonium CAS Name: (5-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl-[(4-fluorophenyl)methyl]ammonium IUPAC Name: (5-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl-[(4-fluorophenyl)methyl]azanium Traditional Name: (2-benzoxy-5-bromo-3-methoxy-benzyl)-(4-fluorobenzyl)ammonium Formula: C22H22BrFNO2+ MolecularWeight: 431.317983

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)Br)C[NH2+]CC2=CC=C(C=C2)F)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C(=CC(=C1)Br)C[NH2+]CC2=CC=C(C=C2)F)OCC3=CC=CC=C3

InChI

InChI=1S/C22H21BrFNO2/c1-26-21-12-19(23)11-18(14-25-13-16-7-9-20(24)10-8-16)22(21)27-15-17-5-3-2-4-6-17/h2-12,25H,13-15H2,1H3/p+1