[5-bromanyl-2-[(4-fluorophenyl)methoxy]phenyl]methyl-cyclooctyl-azanium

Systemtic Name: [5-bromanyl-2-[(4-fluorophenyl)methoxy]phenyl]methyl-cyclooctyl-azanium Openeye Name: [5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl-cyclooctyl-ammonium CAS Name: [5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl-cyclooctylammonium IUPAC Name: [5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl-cyclooctylazanium Traditional Name: [5-bromo-2-(4-fluorobenzyl)oxy-benzyl]-cyclooctyl-ammonium Formula: C22H28BrFNO+ MolecularWeight: 421.366223

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)[NH2+]CC2=C(C=CC(=C2)Br)OCC3=CC=C(C=C3)F

Isomeric SMILES

C1CCCC(CCC1)[NH2+]CC2=C(C=CC(=C2)Br)OCC3=CC=C(C=C3)F

InChI

InChI=1S/C22H27BrFNO/c23-19-10-13-22(26-16-17-8-11-20(24)12-9-17)18(14-19)15-25-21-6-4-2-1-3-5-7-21/h8-14,21,25H,1-7,15-16H2/p+1