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

Systemtic Name: [3-bromanyl-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl-(pyridin-3-ylmethyl)azanium Openeye Name: [3-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl-(3-pyridylmethyl)ammonium CAS Name: [3-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl-(3-pyridinylmethyl)ammonium IUPAC Name: [3-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl-(pyridin-3-ylmethyl)azanium Traditional Name: [3-bromo-5-ethoxy-4-(2-fluorobenzyl)oxy-benzyl]-(3-pyridylmethyl)ammonium Formula: C22H23BrFN2O2+ MolecularWeight: 446.332623

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]CC2=CN=CC=C2)Br)OCC3=CC=CC=C3F

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]CC2=CN=CC=C2)Br)OCC3=CC=CC=C3F

InChI

InChI=1S/C22H22BrFN2O2/c1-2-27-21-11-17(14-26-13-16-6-5-9-25-12-16)10-19(23)22(21)28-15-18-7-3-4-8-20(18)24/h3-12,26H,2,13-15H2,1H3/p+1