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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)C[NH2+]C3C4CC5CC(C4)CC3C5

Isomeric SMILES

CC1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)C[NH2+]C3C4CC5CC(C4)CC3C5

InChI

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