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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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