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

Systemtic Name: [3-bromanyl-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl-(phenylmethyl)azanium Openeye Name: benzyl-[[3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]ammonium CAS Name: [3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]azanium Traditional Name: benzyl-[3-bromo-5-ethoxy-4-(4-fluorobenzyl)oxy-benzyl]ammonium Formula: C23H24BrFNO2+ MolecularWeight: 445.344563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23BrFNO2/c1-2-27-22-13-19(15-26-14-17-6-4-3-5-7-17)12-21(24)23(22)28-16-18-8-10-20(25)11-9-18/h3-13,26H,2,14-16H2,1H3/p+1