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

Systemtic Name: [3-bromanyl-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxy-phenyl]methyl-cycloheptyl-azanium Openeye Name: [3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxy-phenyl]methyl-cycloheptyl-ammonium CAS Name: [3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl-cycloheptylammonium IUPAC Name: [3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl-cycloheptylazanium Traditional Name: [3-bromo-4-(2,4-dichlorobenzyl)oxy-5-ethoxy-benzyl]-cycloheptyl-ammonium Formula: C23H29BrCl2NO2+ MolecularWeight: 502.29186

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]C2CCCCCC2)Br)OCC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]C2CCCCCC2)Br)OCC3=C(C=C(C=C3)Cl)Cl

InChI

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