2-adamantyl-[[3-bromanyl-4-[(4-chlorophenyl)methoxy]phenyl]methyl]azanium

Systemtic Name: 2-adamantyl-[[3-bromanyl-4-[(4-chlorophenyl)methoxy]phenyl]methyl]azanium Openeye Name: 2-adamantyl-[[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methyl]ammonium CAS Name: 2-adamantyl-[[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methyl]ammonium IUPAC Name: 2-adamantyl-[[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methyl]azanium Traditional Name: 2-adamantyl-[3-bromo-4-(4-chlorobenzyl)oxy-benzyl]ammonium Formula: C24H28BrClNO+ MolecularWeight: 461.84222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27BrClNO/c25-22-12-16(3-6-23(22)28-14-15-1-4-21(26)5-2-15)13-27-24-19-8-17-7-18(10-19)11-20(24)9-17/h1-6,12,17-20,24,27H,7-11,13-14H2/p+1