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

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

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]C2C3CC4CC(C3)CC2C4)Cl)OCC5=C(C=C(C=C5)Cl)Cl

InChI

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