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

Systemtic Name: 2-adamantyl-[[5-bromanyl-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]azanium Openeye Name: 2-adamantyl-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]ammonium CAS Name: 2-adamantyl-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]ammonium IUPAC Name: 2-adamantyl-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]azanium Traditional Name: 2-adamantyl-[5-bromo-2-(2,4-dichlorobenzyl)oxy-benzyl]ammonium Formula: C24H27BrCl2NO+ MolecularWeight: 496.28728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26BrCl2NO/c25-20-2-4-23(29-13-16-1-3-21(26)11-22(16)27)19(10-20)12-28-24-17-6-14-5-15(8-17)9-18(24)7-14/h1-4,10-11,14-15,17-18,24,28H,5-9,12-13H2/p+1