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

Systemtic Name: 2-[5,6-bis(chloranyl)-3-ethyl-2-methyl-benzimidazol-1-ium-1-yl]ethyl ethanoate bromide Openeye Name: 2-(5,6-dichloro-3-ethyl-2-methyl-benzimidazol-1-ium-1-yl)ethyl acetate bromide CAS Name: acetic acid 2-(5,6-dichloro-3-ethyl-2-methyl-1-benzimidazol-1-iumyl)ethyl ester bromide IUPAC Name: 2-(5,6-dichloro-3-ethyl-2-methylbenzimidazol-1-ium-1-yl)ethyl acetate bromide Traditional Name: acetic acid 2-(5,6-dichloro-3-ethyl-2-methyl-benzimidazol-1-ium-1-yl)ethyl ester bromide Formula: C14H17BrCl2N2O2 MolecularWeight: 396.10698

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=[N+](C2=CC(=C(C=C21)Cl)Cl)CCOC(=O)C)C.[Br-]

Isomeric SMILES

CCN1C(=[N+](C2=CC(=C(C=C21)Cl)Cl)CCOC(=O)C)C.[Br-]

InChI

InChI=1S/C14H17Cl2N2O2.BrH/c1-4-17-9(2)18(5-6-20-10(3)19)14-8-12(16)11(15)7-13(14)17;/h7-8H,4-6H2,1-3H3;1H/q+1;/p-1