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

Systemtic Name: 1-adamantyl-[[5-bromanyl-2-[(4-fluorophenyl)methoxy]phenyl]methyl]azanium Openeye Name: 1-adamantyl-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]ammonium CAS Name: 1-adamantyl-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]ammonium IUPAC Name: 1-adamantyl-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]azanium Traditional Name: 1-adamantyl-[5-bromo-2-(4-fluorobenzyl)oxy-benzyl]ammonium Formula: C24H28BrFNO+ MolecularWeight: 445.387623

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)[NH2+]CC4=C(C=CC(=C4)Br)OCC5=CC=C(C=C5)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)[NH2+]CC4=C(C=CC(=C4)Br)OCC5=CC=C(C=C5)F

InChI

InChI=1S/C24H27BrFNO/c25-21-3-6-23(28-15-16-1-4-22(26)5-2-16)20(10-21)14-27-24-11-17-7-18(12-24)9-19(8-17)13-24/h1-6,10,17-19,27H,7-9,11-15H2/p+1