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

Systemtic Name: [3-bromanyl-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl-(pyridin-4-ylmethyl)azanium Openeye Name: [3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl-(4-pyridylmethyl)ammonium CAS Name: [3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl-(pyridin-4-ylmethyl)ammonium IUPAC Name: [3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl-(pyridin-4-ylmethyl)azanium Traditional Name: [3-bromo-5-ethoxy-4-(4-fluorobenzyl)oxy-benzyl]-(4-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=CC=NC=C2)Br)OCC3=CC=C(C=C3)F

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]CC2=CC=NC=C2)Br)OCC3=CC=C(C=C3)F

InChI

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