2-adamantyl-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl]azanium

Systemtic Name: 2-adamantyl-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl]azanium Openeye Name: 2-adamantyl-[(2-benzyloxy-5-bromo-phenyl)methyl]ammonium CAS Name: 2-adamantyl-[(5-bromo-2-phenylmethoxyphenyl)methyl]ammonium IUPAC Name: 2-adamantyl-[(5-bromo-2-phenylmethoxyphenyl)methyl]azanium Traditional Name: 2-adamantyl-(2-benzoxy-5-bromo-benzyl)ammonium Formula: C24H29BrNO+ MolecularWeight: 427.39716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28BrNO/c25-22-6-7-23(27-15-16-4-2-1-3-5-16)21(13-22)14-26-24-19-9-17-8-18(11-19)12-20(24)10-17/h1-7,13,17-20,24,26H,8-12,14-15H2/p+1