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

Systemtic Name: 2-adamantyl-[[5-bromanyl-2-[(4-chlorophenyl)methoxy]phenyl]methyl]azanium Openeye Name: 2-adamantyl-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]ammonium CAS Name: 2-adamantyl-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]ammonium IUPAC Name: 2-adamantyl-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]azanium Traditional Name: 2-adamantyl-[5-bromo-2-(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=C(C=CC(=C4)Br)OCC5=CC=C(C=C5)Cl

Isomeric SMILES

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

InChI

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