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

Systemtic Name: [3-bromanyl-4-[(2-fluorophenyl)methoxy]-5-methoxy-phenyl]methyl-(phenylmethyl)azanium Openeye Name: benzyl-[[3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxy-phenyl]methyl]ammonium CAS Name: [3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]azanium Traditional Name: benzyl-[3-bromo-4-(2-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=CC=C3F

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]CC2=CC=CC=C2)Br)OCC3=CC=CC=C3F

InChI

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