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

Systemtic Name: 1-adamantyl-[[3-bromanyl-4-[(3,4-dichlorophenyl)methoxy]-5-methoxy-phenyl]methyl]azanium Openeye Name: 1-adamantyl-[[3-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxy-phenyl]methyl]ammonium CAS Name: 1-adamantyl-[[3-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]ammonium IUPAC Name: 1-adamantyl-[[3-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]azanium Traditional Name: 1-adamantyl-[3-bromo-4-(3,4-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=CC(=C(C=C5)Cl)Cl

Isomeric SMILES

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

InChI

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