2-(3-azanyl-1,2,3-triazolidin-3-ium-1-yl)-1-phenyl-ethanone bromide

Systemtic Name: 2-(3-azanyl-1,2,3-triazolidin-3-ium-1-yl)-1-phenyl-ethanone bromide Openeye Name: 2-(3-aminotriazolidin-3-ium-1-yl)-1-phenyl-ethanone bromide CAS Name: 2-(3-amino-1-triazolidin-3-iumyl)-1-phenylethanone bromide IUPAC Name: 2-(3-aminotriazolidin-3-ium-1-yl)-1-phenylethanone bromide Traditional Name: 2-(3-aminotriazolidin-3-ium-1-yl)-1-phenyl-ethanone bromide Formula: C10H15BrN4O MolecularWeight: 287.1563

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(N[NH+]1N)CC(=O)C2=CC=CC=C2.[Br-]

Isomeric SMILES

C1CN(N[NH+]1N)CC(=O)C2=CC=CC=C2.[Br-]

InChI

InChI=1S/C10H14N4O.BrH/c11-14-7-6-13(12-14)8-10(15)9-4-2-1-3-5-9;/h1-5,12H,6-8,11H2;1H