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

Systemtic Name: [3-bromanyl-4-[(3,4-dichlorophenyl)methoxy]-5-methoxy-phenyl]methyl-cyclooctyl-azanium Openeye Name: [3-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxy-phenyl]methyl-cyclooctyl-ammonium CAS Name: [3-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl-cyclooctylammonium IUPAC Name: [3-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl-cyclooctylazanium Traditional Name: [3-bromo-4-(3,4-dichlorobenzyl)oxy-5-methoxy-benzyl]-cyclooctyl-ammonium Formula: C23H29BrCl2NO2+ MolecularWeight: 502.29186

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]C2CCCCCCC2)Br)OCC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]C2CCCCCCC2)Br)OCC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C23H28BrCl2NO2/c1-28-22-13-17(14-27-18-7-5-3-2-4-6-8-18)11-19(24)23(22)29-15-16-9-10-20(25)21(26)12-16/h9-13,18,27H,2-8,14-15H2,1H3/p+1