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

Systemtic Name: 2-(2-azanyl-3-prop-2-enyl-benzimidazol-1-ium-1-yl)-1-(4-nitrophenyl)ethanone bromide Openeye Name: 2-(3-allyl-2-amino-benzimidazol-1-ium-1-yl)-1-(4-nitrophenyl)ethanone bromide CAS Name: 2-(2-amino-3-prop-2-enyl-1-benzimidazol-1-iumyl)-1-(4-nitrophenyl)ethanone bromide IUPAC Name: 2-(2-amino-3-prop-2-enylbenzimidazol-1-ium-1-yl)-1-(4-nitrophenyl)ethanone bromide Traditional Name: 2-(3-allyl-2-amino-benzimidazol-1-ium-1-yl)-1-(4-nitrophenyl)ethanone bromide Formula: C18H17BrN4O3 MolecularWeight: 417.25658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N4O3.BrH/c1-2-11-20-15-5-3-4-6-16(15)21(18(20)19)12-17(23)13-7-9-14(10-8-13)22(24)25;/h2-10,19H,1,11-12H2;1H