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

Systemtic Name: 1-adamantyl-[[3-chloranyl-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxy-phenyl]methyl]azanium Openeye Name: 1-adamantyl-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxy-phenyl]methyl]ammonium CAS Name: 1-adamantyl-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]ammonium IUPAC Name: 1-adamantyl-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]azanium Traditional Name: 1-adamantyl-[3-chloro-4-(2,4-dichlorobenzyl)oxy-5-ethoxy-benzyl]ammonium Formula: C26H31Cl3NO2+ MolecularWeight: 495.88884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30Cl3NO2/c1-2-31-24-9-19(14-30-26-11-16-5-17(12-26)7-18(6-16)13-26)8-23(29)25(24)32-15-20-3-4-21(27)10-22(20)28/h3-4,8-10,16-18,30H,2,5-7,11-15H2,1H3/p+1