1-adamantyl-[[3,5-bis(bromanyl)-4-phenylmethoxy-phenyl]methyl]azanium

Systemtic Name: 1-adamantyl-[[3,5-bis(bromanyl)-4-phenylmethoxy-phenyl]methyl]azanium Openeye Name: 1-adamantyl-[(4-benzyloxy-3,5-dibromo-phenyl)methyl]ammonium CAS Name: 1-adamantyl-[(3,5-dibromo-4-phenylmethoxyphenyl)methyl]ammonium IUPAC Name: 1-adamantyl-[(3,5-dibromo-4-phenylmethoxyphenyl)methyl]azanium Traditional Name: 1-adamantyl-(4-benzoxy-3,5-dibromo-benzyl)ammonium Formula: C24H28Br2NO+ MolecularWeight: 506.29322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27Br2NO/c25-21-9-20(10-22(26)23(21)28-15-16-4-2-1-3-5-16)14-27-24-11-17-6-18(12-24)8-19(7-17)13-24/h1-5,9-10,17-19,27H,6-8,11-15H2/p+1