2-(3-butylbenzimidazol-1-ium-1-yl)-1-(3-nitrophenyl)ethanone bromide

Systemtic Name: 2-(3-butylbenzimidazol-1-ium-1-yl)-1-(3-nitrophenyl)ethanone bromide Openeye Name: 2-(3-butylbenzimidazol-1-ium-1-yl)-1-(3-nitrophenyl)ethanone bromide CAS Name: 2-(3-butyl-1-benzimidazol-1-iumyl)-1-(3-nitrophenyl)ethanone bromide IUPAC Name: 2-(3-butylbenzimidazol-1-ium-1-yl)-1-(3-nitrophenyl)ethanone bromide Traditional Name: 2-(3-butylbenzimidazol-1-ium-1-yl)-1-(3-nitrophenyl)ethanone bromide Formula: C19H20BrN3O3 MolecularWeight: 418.2844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=[N+](C2=CC=CC=C21)CC(=O)C3=CC(=CC=C3)[N+](=O)[O-].[Br-]

Isomeric SMILES

CCCCN1C=[N+](C2=CC=CC=C21)CC(=O)C3=CC(=CC=C3)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C19H20N3O3.BrH/c1-2-3-11-20-14-21(18-10-5-4-9-17(18)20)13-19(23)15-7-6-8-16(12-15)22(24)25;/h4-10,12,14H,2-3,11,13H2,1H3;1H/q+1;/p-1