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

Systemtic Name: 1-adamantyl-[[5-bromanyl-2-[(4-methylphenyl)methoxy]phenyl]methyl]azanium Openeye Name: 1-adamantyl-[[5-bromo-2-(p-tolylmethoxy)phenyl]methyl]ammonium CAS Name: 1-adamantyl-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methyl]ammonium IUPAC Name: 1-adamantyl-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methyl]azanium Traditional Name: 1-adamantyl-[5-bromo-2-(4-methylbenzyl)oxy-benzyl]ammonium Formula: C25H31BrNO+ MolecularWeight: 441.42374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)C[NH2+]C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)C[NH2+]C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H30BrNO/c1-17-2-4-18(5-3-17)16-28-24-7-6-23(26)11-22(24)15-27-25-12-19-8-20(13-25)10-21(9-19)14-25/h2-7,11,19-21,27H,8-10,12-16H2,1H3/p+1