1-[2-(3,4-dichlorophenyl)-2-(2-ethylhexoxy)ethyl]pyridin-1-ium bromide

Systemtic Name: 1-[2-(3,4-dichlorophenyl)-2-(2-ethylhexoxy)ethyl]pyridin-1-ium bromide Openeye Name: 1-[2-(3,4-dichlorophenyl)-2-(2-ethylhexoxy)ethyl]pyridin-1-ium bromide CAS Name: 1-[2-(3,4-dichlorophenyl)-2-(2-ethylhexoxy)ethyl]pyridin-1-ium bromide IUPAC Name: 1-[2-(3,4-dichlorophenyl)-2-(2-ethylhexoxy)ethyl]pyridin-1-ium bromide Traditional Name: 1-[2-(3,4-dichlorophenyl)-2-(2-ethylhexoxy)ethyl]pyridin-1-ium bromide Formula: C21H28BrCl2NO MolecularWeight: 461.26312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(C[N+]1=CC=CC=C1)C2=CC(=C(C=C2)Cl)Cl.[Br-]

Isomeric SMILES

CCCCC(CC)COC(C[N+]1=CC=CC=C1)C2=CC(=C(C=C2)Cl)Cl.[Br-]

InChI

InChI=1S/C21H28Cl2NO.BrH/c1-3-5-9-17(4-2)16-25-21(15-24-12-7-6-8-13-24)18-10-11-19(22)20(23)14-18;/h6-8,10-14,17,21H,3-5,9,15-16H2,1-2H3;1H/q+1;/p-1