2-(2-azanyl-3-butyl-benzimidazol-1-ium-1-yl)-1-(4-phenylphenyl)ethanone bromide

Systemtic Name: 2-(2-azanyl-3-butyl-benzimidazol-1-ium-1-yl)-1-(4-phenylphenyl)ethanone bromide Openeye Name: 2-(2-amino-3-butyl-benzimidazol-1-ium-1-yl)-1-(4-phenylphenyl)ethanone bromide CAS Name: 2-(2-amino-3-butyl-1-benzimidazol-1-iumyl)-1-(4-phenylphenyl)ethanone bromide IUPAC Name: 2-(2-amino-3-butylbenzimidazol-1-ium-1-yl)-1-(4-phenylphenyl)ethanone bromide Traditional Name: 2-(2-amino-3-butyl-benzimidazol-1-ium-1-yl)-1-(4-phenylphenyl)ethanone bromide Formula: C25H26BrN3O MolecularWeight: 464.39744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2[N+](=C1N)CC(=O)C3=CC=C(C=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

CCCCN1C2=CC=CC=C2[N+](=C1N)CC(=O)C3=CC=C(C=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C25H25N3O.BrH/c1-2-3-17-27-22-11-7-8-12-23(22)28(25(27)26)18-24(29)21-15-13-20(14-16-21)19-9-5-4-6-10-19;/h4-16,26H,2-3,17-18H2,1H3;1H