1-(4-butoxyphenyl)-2-(2-ethyl-3-methyl-benzimidazol-3-ium-1-yl)ethanone bromide

Systemtic Name: 1-(4-butoxyphenyl)-2-(2-ethyl-3-methyl-benzimidazol-3-ium-1-yl)ethanone bromide Openeye Name: 1-(4-butoxyphenyl)-2-(2-ethyl-3-methyl-benzimidazol-3-ium-1-yl)ethanone bromide CAS Name: 1-(4-butoxyphenyl)-2-(2-ethyl-3-methyl-1-benzimidazol-3-iumyl)ethanone bromide IUPAC Name: 1-(4-butoxyphenyl)-2-(2-ethyl-3-methylbenzimidazol-3-ium-1-yl)ethanone bromide Traditional Name: 1-(4-butoxyphenyl)-2-(2-ethyl-3-methyl-benzimidazol-3-ium-1-yl)ethanone bromide Formula: C22H27BrN2O2 MolecularWeight: 431.36598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)CN2C3=CC=CC=C3[N+](=C2CC)C.[Br-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)CN2C3=CC=CC=C3[N+](=C2CC)C.[Br-]

InChI

InChI=1S/C22H27N2O2.BrH/c1-4-6-15-26-18-13-11-17(12-14-18)21(25)16-24-20-10-8-7-9-19(20)23(3)22(24)5-2;/h7-14H,4-6,15-16H2,1-3H3;1H/q+1;/p-1