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

Systemtic Name: [3-bromanyl-4-[(4-fluorophenyl)methoxy]-5-methoxy-phenyl]methyl-(phenylmethyl)azanium Openeye Name: benzyl-[[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxy-phenyl]methyl]ammonium CAS Name: [3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]azanium Traditional Name: benzyl-[3-bromo-4-(4-fluorobenzyl)oxy-5-methoxy-benzyl]ammonium Formula: C22H22BrFNO2+ MolecularWeight: 431.317983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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