1-(4-tert-butylphenyl)-2-(3-propylbenzimidazol-1-ium-1-yl)ethanone bromide

Systemtic Name: 1-(4-tert-butylphenyl)-2-(3-propylbenzimidazol-1-ium-1-yl)ethanone bromide Openeye Name: 1-(4-tert-butylphenyl)-2-(3-propylbenzimidazol-1-ium-1-yl)ethanone bromide CAS Name: 1-(4-tert-butylphenyl)-2-(3-propyl-1-benzimidazol-1-iumyl)ethanone bromide IUPAC Name: 1-(4-tert-butylphenyl)-2-(3-propylbenzimidazol-1-ium-1-yl)ethanone bromide Traditional Name: 1-(4-tert-butylphenyl)-2-(3-propylbenzimidazol-1-ium-1-yl)ethanone bromide Formula: C22H27BrN2O MolecularWeight: 415.36658

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=[N+](C2=CC=CC=C21)CC(=O)C3=CC=C(C=C3)C(C)(C)C.[Br-]

Isomeric SMILES

CCCN1C=[N+](C2=CC=CC=C21)CC(=O)C3=CC=C(C=C3)C(C)(C)C.[Br-]

InChI

InChI=1S/C22H27N2O.BrH/c1-5-14-23-16-24(20-9-7-6-8-19(20)23)15-21(25)17-10-12-18(13-11-17)22(2,3)4;/h6-13,16H,5,14-15H2,1-4H3;1H/q+1;/p-1