1-adamantyl-[[3-bromanyl-4-[(2,4-dichlorophenyl)methoxy]-5-methoxy-phenyl]methyl]azanium

Systemtic Name: 1-adamantyl-[[3-bromanyl-4-[(2,4-dichlorophenyl)methoxy]-5-methoxy-phenyl]methyl]azanium Openeye Name: 1-adamantyl-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxy-phenyl]methyl]ammonium CAS Name: 1-adamantyl-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]ammonium IUPAC Name: 1-adamantyl-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]azanium Traditional Name: 1-adamantyl-[3-bromo-4-(2,4-dichlorobenzyl)oxy-5-methoxy-benzyl]ammonium Formula: C25H29BrCl2NO2+ MolecularWeight: 526.31326

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]C23CC4CC(C2)CC(C4)C3)Br)OCC5=C(C=C(C=C5)Cl)Cl

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]C23CC4CC(C2)CC(C4)C3)Br)OCC5=C(C=C(C=C5)Cl)Cl

InChI

InChI=1S/C25H28BrCl2NO2/c1-30-23-8-18(13-29-25-10-15-4-16(11-25)6-17(5-15)12-25)7-21(26)24(23)31-14-19-2-3-20(27)9-22(19)28/h2-3,7-9,15-17,29H,4-6,10-14H2,1H3/p+1