N-(3-azanyl-1H-isoindol-2-ium-2-yl)-2-cyano-ethanamide bromide

Systemtic Name: N-(3-azanyl-1H-isoindol-2-ium-2-yl)-2-cyano-ethanamide bromide Openeye Name: N-(3-amino-1H-isoindol-2-ium-2-yl)-2-cyano-acetamide bromide CAS Name: N-(3-amino-1H-isoindol-2-ium-2-yl)-2-cyanoacetamide bromide IUPAC Name: N-(3-amino-1H-isoindol-2-ium-2-yl)-2-cyanoacetamide bromide Traditional Name: N-(3-amino-1H-isoindol-2-ium-2-yl)-2-cyano-acetamide bromide Formula: C11H11BrN4O MolecularWeight: 295.13524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10N4O.BrH/c12-6-5-10(16)14-15-7-8-3-1-2-4-9(8)11(15)13;/h1-4,13H,5,7H2,(H,14,16);1H