1-adamantyl-[[3-bromanyl-4-[(4-chlorophenyl)methoxy]phenyl]methyl]azanium

Systemtic Name: 1-adamantyl-[[3-bromanyl-4-[(4-chlorophenyl)methoxy]phenyl]methyl]azanium Openeye Name: 1-adamantyl-[[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methyl]ammonium CAS Name: 1-adamantyl-[[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methyl]ammonium IUPAC Name: 1-adamantyl-[[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methyl]azanium Traditional Name: 1-adamantyl-[3-bromo-4-(4-chlorobenzyl)oxy-benzyl]ammonium Formula: C24H28BrClNO+ MolecularWeight: 461.84222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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