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

Systemtic Name: 1-adamantyl-[[5-bromanyl-2-[(2-chlorophenyl)methoxy]phenyl]methyl]azanium Openeye Name: 1-adamantyl-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]ammonium CAS Name: 1-adamantyl-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]ammonium IUPAC Name: 1-adamantyl-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]azanium Traditional Name: 1-adamantyl-[5-bromo-2-(2-chlorobenzyl)oxy-benzyl]ammonium Formula: C24H28BrClNO+ MolecularWeight: 461.84222

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)[NH2+]CC4=C(C=CC(=C4)Br)OCC5=CC=CC=C5Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)[NH2+]CC4=C(C=CC(=C4)Br)OCC5=CC=CC=C5Cl

InChI

InChI=1S/C24H27BrClNO/c25-21-5-6-23(28-15-19-3-1-2-4-22(19)26)20(10-21)14-27-24-11-16-7-17(12-24)9-18(8-16)13-24/h1-6,10,16-18,27H,7-9,11-15H2/p+1