2-(3-butyl-2-ethyl-benzimidazol-1-ium-1-yl)-1-(4-methoxyphenyl)ethanone bromide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2[N+](=C1CC)CC(=O)C3=CC=C(C=C3)OC.[Br-]

Isomeric SMILES

CCCCN1C2=CC=CC=C2[N+](=C1CC)CC(=O)C3=CC=C(C=C3)OC.[Br-]

InChI

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