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

Systemtic Name: N-(3-azanyl-1H-isoindol-2-ium-2-yl)-2-phenoxy-ethanamide bromide Openeye Name: N-(3-amino-1H-isoindol-2-ium-2-yl)-2-phenoxy-acetamide bromide CAS Name: N-(3-amino-1H-isoindol-2-ium-2-yl)-2-phenoxyacetamide bromide IUPAC Name: N-(3-amino-1H-isoindol-2-ium-2-yl)-2-phenoxyacetamide bromide Traditional Name: N-(3-amino-1H-isoindol-2-ium-2-yl)-2-phenoxy-acetamide bromide Formula: C16H16BrN3O2 MolecularWeight: 362.22114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=[N+]1NC(=O)COC3=CC=CC=C3)N.[Br-]

Isomeric SMILES

C1C2=CC=CC=C2C(=[N+]1NC(=O)COC3=CC=CC=C3)N.[Br-]

InChI

InChI=1S/C16H15N3O2.BrH/c17-16-14-9-5-4-6-12(14)10-19(16)18-15(20)11-21-13-7-2-1-3-8-13;/h1-9,17H,10-11H2,(H,18,20);1H