2-(2-azanyl-3-prop-2-enyl-benzimidazol-1-ium-1-yl)-1-(3,4-dichlorophenyl)ethanone bromide

Systemtic Name: 2-(2-azanyl-3-prop-2-enyl-benzimidazol-1-ium-1-yl)-1-(3,4-dichlorophenyl)ethanone bromide Openeye Name: 2-(3-allyl-2-amino-benzimidazol-1-ium-1-yl)-1-(3,4-dichlorophenyl)ethanone bromide CAS Name: 2-(2-amino-3-prop-2-enyl-1-benzimidazol-1-iumyl)-1-(3,4-dichlorophenyl)ethanone bromide IUPAC Name: 2-(2-amino-3-prop-2-enylbenzimidazol-1-ium-1-yl)-1-(3,4-dichlorophenyl)ethanone bromide Traditional Name: 2-(3-allyl-2-amino-benzimidazol-1-ium-1-yl)-1-(3,4-dichlorophenyl)ethanone bromide Formula: C18H16BrCl2N3O MolecularWeight: 441.14914

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=CC=CC=C2[N+](=C1N)CC(=O)C3=CC(=C(C=C3)Cl)Cl.[Br-]

Isomeric SMILES

C=CCN1C2=CC=CC=C2[N+](=C1N)CC(=O)C3=CC(=C(C=C3)Cl)Cl.[Br-]

InChI

InChI=1S/C18H15Cl2N3O.BrH/c1-2-9-22-15-5-3-4-6-16(15)23(18(22)21)11-17(24)12-7-8-13(19)14(20)10-12;/h2-8,10,21H,1,9,11H2;1H