ethyl 2-[3-butyl-5,6-bis(chloranyl)benzimidazol-1-ium-1-yl]ethanoate bromide

Systemtic Name: ethyl 2-[3-butyl-5,6-bis(chloranyl)benzimidazol-1-ium-1-yl]ethanoate bromide Openeye Name: ethyl 2-(3-butyl-5,6-dichloro-benzimidazol-1-ium-1-yl)acetate bromide CAS Name: 2-(3-butyl-5,6-dichloro-1-benzimidazol-1-iumyl)acetic acid ethyl ester bromide IUPAC Name: ethyl 2-(3-butyl-5,6-dichlorobenzimidazol-1-ium-1-yl)acetate bromide Traditional Name: 2-(3-butyl-5,6-dichloro-benzimidazol-1-ium-1-yl)acetic acid ethyl ester bromide Formula: C15H19BrCl2N2O2 MolecularWeight: 410.13356

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=[N+](C2=CC(=C(C=C21)Cl)Cl)CC(=O)OCC.[Br-]

Isomeric SMILES

CCCCN1C=[N+](C2=CC(=C(C=C21)Cl)Cl)CC(=O)OCC.[Br-]

InChI

InChI=1S/C15H19Cl2N2O2.BrH/c1-3-5-6-18-10-19(9-15(20)21-4-2)14-8-12(17)11(16)7-13(14)18;/h7-8,10H,3-6,9H2,1-2H3;1H/q+1;/p-1