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

Systemtic Name: 1-adamantyl-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]azanium Openeye Name: 1-adamantyl-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]ammonium CAS Name: 1-adamantyl-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]ammonium IUPAC Name: 1-adamantyl-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]azanium Traditional Name: 1-adamantyl-[2-(2,4-dichlorobenzyl)oxybenzyl]ammonium Formula: C24H28Cl2NO+ MolecularWeight: 417.39122

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)[NH2+]CC4=CC=CC=C4OCC5=C(C=C(C=C5)Cl)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)[NH2+]CC4=CC=CC=C4OCC5=C(C=C(C=C5)Cl)Cl

InChI

InChI=1S/C24H27Cl2NO/c25-21-6-5-20(22(26)10-21)15-28-23-4-2-1-3-19(23)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