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

Systemtic Name: 2-(2-azanyl-3-butyl-benzimidazol-1-ium-1-yl)-1-(4-chlorophenyl)ethanone bromide Openeye Name: 2-(2-amino-3-butyl-benzimidazol-1-ium-1-yl)-1-(4-chlorophenyl)ethanone bromide CAS Name: 2-(2-amino-3-butyl-1-benzimidazol-1-iumyl)-1-(4-chlorophenyl)ethanone bromide IUPAC Name: 2-(2-amino-3-butylbenzimidazol-1-ium-1-yl)-1-(4-chlorophenyl)ethanone bromide Traditional Name: 2-(2-amino-3-butyl-benzimidazol-1-ium-1-yl)-1-(4-chlorophenyl)ethanone bromide Formula: C19H21BrClN3O MolecularWeight: 422.74654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClN3O.BrH/c1-2-3-12-22-16-6-4-5-7-17(16)23(19(22)21)13-18(24)14-8-10-15(20)11-9-14;/h4-11,21H,2-3,12-13H2,1H3;1H