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

Systemtic Name: [3-bromanyl-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxy-phenyl]methyl-cyclooctyl-azanium Openeye Name: [3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxy-phenyl]methyl-cyclooctyl-ammonium CAS Name: [3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl-cyclooctylammonium IUPAC Name: [3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl-cyclooctylazanium Traditional Name: [3-bromo-4-(2,4-dichlorobenzyl)oxy-5-ethoxy-benzyl]-cyclooctyl-ammonium Formula: C24H31BrCl2NO2+ MolecularWeight: 516.31844

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]C2CCCCCCC2)Br)OCC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]C2CCCCCCC2)Br)OCC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C24H30BrCl2NO2/c1-2-29-23-13-17(15-28-20-8-6-4-3-5-7-9-20)12-21(25)24(23)30-16-18-10-11-19(26)14-22(18)27/h10-14,20,28H,2-9,15-16H2,1H3/p+1