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

Systemtic Name: 2-(3-azanyl-1H-isoindol-2-ium-2-yl)-1-(4-chlorophenyl)ethanone bromide Openeye Name: 2-(3-amino-1H-isoindol-2-ium-2-yl)-1-(4-chlorophenyl)ethanone bromide CAS Name: 2-(3-amino-1H-isoindol-2-ium-2-yl)-1-(4-chlorophenyl)ethanone bromide IUPAC Name: 2-(3-amino-1H-isoindol-2-ium-2-yl)-1-(4-chlorophenyl)ethanone bromide Traditional Name: 2-(3-amino-1H-isoindol-2-ium-2-yl)-1-(4-chlorophenyl)ethanone bromide Formula: C16H14BrClN2O MolecularWeight: 365.65216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13ClN2O.BrH/c17-13-7-5-11(6-8-13)15(20)10-19-9-12-3-1-2-4-14(12)16(19)18;/h1-8,18H,9-10H2;1H