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

Systemtic Name: 2-adamantyl-[[3-bromanyl-4-[(2,4-dichlorophenyl)methoxy]-5-methoxy-phenyl]methyl]azanium Openeye Name: 2-adamantyl-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxy-phenyl]methyl]ammonium CAS Name: 2-adamantyl-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]ammonium IUPAC Name: 2-adamantyl-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]azanium Traditional Name: 2-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+]C2C3CC4CC(C3)CC2C4)Br)OCC5=C(C=C(C=C5)Cl)Cl

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]C2C3CC4CC(C3)CC2C4)Br)OCC5=C(C=C(C=C5)Cl)Cl

InChI

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