2-(3-azanyl-1H-isoindol-2-ium-2-yl)-1-(4-phenylphenyl)ethanone bromide

Systemtic Name: 2-(3-azanyl-1H-isoindol-2-ium-2-yl)-1-(4-phenylphenyl)ethanone bromide Openeye Name: 2-(3-amino-1H-isoindol-2-ium-2-yl)-1-(4-phenylphenyl)ethanone bromide CAS Name: 2-(3-amino-1H-isoindol-2-ium-2-yl)-1-(4-phenylphenyl)ethanone bromide IUPAC Name: 2-(3-amino-1H-isoindol-2-ium-2-yl)-1-(4-phenylphenyl)ethanone bromide Traditional Name: 2-(3-amino-1H-isoindol-2-ium-2-yl)-1-(4-phenylphenyl)ethanone bromide Formula: C22H19BrN2O MolecularWeight: 407.30306

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=[N+]1CC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)N.[Br-]

Isomeric SMILES

C1C2=CC=CC=C2C(=[N+]1CC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)N.[Br-]

InChI

InChI=1S/C22H18N2O.BrH/c23-22-20-9-5-4-8-19(20)14-24(22)15-21(25)18-12-10-17(11-13-18)16-6-2-1-3-7-16;/h1-13,23H,14-15H2;1H