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

Systemtic Name: 1-adamantyl-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-phenyl]methyl]azanium Openeye Name: 1-adamantyl-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-phenyl]methyl]ammonium CAS Name: 1-adamantyl-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]ammonium IUPAC Name: 1-adamantyl-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]azanium Traditional Name: 1-adamantyl-[4-(2,4-dichlorobenzyl)oxy-3-ethoxy-benzyl]ammonium Formula: C26H32Cl2NO2+ MolecularWeight: 461.44378

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH2+]C23CC4CC(C2)CC(C4)C3)OCC5=C(C=C(C=C5)Cl)Cl

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH2+]C23CC4CC(C2)CC(C4)C3)OCC5=C(C=C(C=C5)Cl)Cl

InChI

InChI=1S/C26H31Cl2NO2/c1-2-30-25-10-17(3-6-24(25)31-16-21-4-5-22(27)11-23(21)28)15-29-26-12-18-7-19(13-26)9-20(8-18)14-26/h3-6,10-11,18-20,29H,2,7-9,12-16H2,1H3/p+1