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

Systemtic Name: [3-bromanyl-4-[(2-fluorophenyl)methoxy]-5-methoxy-phenyl]methyl-(furan-2-ylmethyl)azanium Openeye Name: [3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxy-phenyl]methyl-(2-furylmethyl)ammonium CAS Name: [3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl-(2-furanylmethyl)ammonium IUPAC Name: [3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl-(furan-2-ylmethyl)azanium Traditional Name: [3-bromo-4-(2-fluorobenzyl)oxy-5-methoxy-benzyl]-(2-furfuryl)ammonium Formula: C20H20BrFNO3+ MolecularWeight: 421.280103

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]CC2=CC=CO2)Br)OCC3=CC=CC=C3F

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]CC2=CC=CO2)Br)OCC3=CC=CC=C3F

InChI

InChI=1S/C20H19BrFNO3/c1-24-19-10-14(11-23-12-16-6-4-8-25-16)9-17(21)20(19)26-13-15-5-2-3-7-18(15)22/h2-10,23H,11-13H2,1H3/p+1