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

Systemtic Name: 2-(3-azanyl-1H-isoindol-2-ium-2-yl)-1-phenyl-ethanone bromide Openeye Name: 2-(3-amino-1H-isoindol-2-ium-2-yl)-1-phenyl-ethanone bromide CAS Name: 2-(3-amino-1H-isoindol-2-ium-2-yl)-1-phenylethanone bromide IUPAC Name: 2-(3-amino-1H-isoindol-2-ium-2-yl)-1-phenylethanone bromide Traditional Name: 2-(3-amino-1H-isoindol-2-ium-2-yl)-1-phenyl-ethanone bromide Formula: C16H15BrN2O MolecularWeight: 331.2071

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O.BrH/c17-16-14-9-5-4-8-13(14)10-18(16)11-15(19)12-6-2-1-3-7-12;/h1-9,17H,10-11H2;1H