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

Systemtic Name: [3-bromanyl-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl-(furan-2-ylmethyl)azanium Openeye Name: [3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl-(2-furylmethyl)ammonium CAS Name: [3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl-(2-furanylmethyl)ammonium IUPAC Name: [3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl-(furan-2-ylmethyl)azanium Traditional Name: [3-bromo-5-ethoxy-4-(4-fluorobenzyl)oxy-benzyl]-(2-furfuryl)ammonium Formula: C21H22BrFNO3+ MolecularWeight: 435.306683

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]CC2=CC=CO2)Br)OCC3=CC=C(C=C3)F

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]CC2=CC=CO2)Br)OCC3=CC=C(C=C3)F

InChI

InChI=1S/C21H21BrFNO3/c1-2-25-20-11-16(12-24-13-18-4-3-9-26-18)10-19(22)21(20)27-14-15-5-7-17(23)8-6-15/h3-11,24H,2,12-14H2,1H3/p+1