2-(3-phenacylbenzotriazol-3-ium-1-yl)-1-phenyl-ethanone bromide

Systemtic Name: 2-(3-phenacylbenzotriazol-3-ium-1-yl)-1-phenyl-ethanone bromide Openeye Name: 2-(3-phenacylbenzotriazol-3-ium-1-yl)-1-phenyl-ethanone bromide CAS Name: 2-(3-phenacyl-1-benzotriazol-3-iumyl)-1-phenylethanone bromide IUPAC Name: 2-(3-phenacylbenzotriazol-3-ium-1-yl)-1-phenylethanone bromide Traditional Name: 2-(3-phenacylbenzotriazol-3-ium-1-yl)-1-phenyl-ethanone bromide Formula: C22H18BrN3O2 MolecularWeight: 436.30122

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CN2C3=CC=CC=C3[N+](=N2)CC(=O)C4=CC=CC=C4.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CN2C3=CC=CC=C3[N+](=N2)CC(=O)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C22H18N3O2.BrH/c26-21(17-9-3-1-4-10-17)15-24-19-13-7-8-14-20(19)25(23-24)16-22(27)18-11-5-2-6-12-18;/h1-14H,15-16H2;1H/q+1;/p-1