[4-[[3-[2-(2,4-dichlorophenyl)ethyl]-2-[(2,4-dichlorophenyl)methoxy]imidazol-1-ium-1-yl]methyl]-2,6-dimethyl-phenyl] ethanoate bromide

Systemtic Name: [4-[[3-[2-(2,4-dichlorophenyl)ethyl]-2-[(2,4-dichlorophenyl)methoxy]imidazol-1-ium-1-yl]methyl]-2,6-dimethyl-phenyl] ethanoate bromide Openeye Name: [4-[[3-[2-(2,4-dichlorophenyl)ethyl]-2-[(2,4-dichlorophenyl)methoxy]imidazol-1-ium-1-yl]methyl]-2,6-dimethyl-phenyl] acetate bromide CAS Name: acetic acid [4-[[3-[2-(2,4-dichlorophenyl)ethyl]-2-[(2,4-dichlorophenyl)methoxy]-1-imidazol-1-iumyl]methyl]-2,6-dimethylphenyl] ester bromide IUPAC Name: [4-[[3-[2-(2,4-dichlorophenyl)ethyl]-2-[(2,4-dichlorophenyl)methoxy]imidazol-1-ium-1-yl]methyl]-2,6-dimethylphenyl] acetate bromide Traditional Name: acetic acid [4-[[2-(2,4-dichlorobenzyl)oxy-3-[2-(2,4-dichlorophenyl)ethyl]imidazol-1-ium-1-yl]methyl]-2,6-dimethyl-phenyl] ester bromide Formula: C29H27BrCl4N2O3 MolecularWeight: 673.25228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(=O)C)C)C[N+]2=C(N(C=C2)CCC3=C(C=C(C=C3)Cl)Cl)OCC4=C(C=C(C=C4)Cl)Cl.[Br-]

Isomeric SMILES

CC1=CC(=CC(=C1OC(=O)C)C)C[N+]2=C(N(C=C2)CCC3=C(C=C(C=C3)Cl)Cl)OCC4=C(C=C(C=C4)Cl)Cl.[Br-]

InChI

InChI=1S/C29H27Cl4N2O3.BrH/c1-18-12-21(13-19(2)28(18)38-20(3)36)16-35-11-10-34(9-8-22-4-6-24(30)14-26(22)32)29(35)37-17-23-5-7-25(31)15-27(23)33;/h4-7,10-15H,8-9,16-17H2,1-3H3;1H/q+1;/p-1