2-(4-phenoxyphenyl)-3H-isoindol-2-ium-1-amine bromide

Systemtic Name: 2-(4-phenoxyphenyl)-3H-isoindol-2-ium-1-amine bromide Openeye Name: 2-(4-phenoxyphenyl)-3H-isoindol-2-ium-1-amine bromide CAS Name: 2-(4-phenoxyphenyl)-3H-isoindol-2-ium-1-amine bromide IUPAC Name: 2-(4-phenoxyphenyl)-3H-isoindol-2-ium-1-amine bromide Traditional Name: [2-(4-phenoxyphenyl)-3H-isoindol-2-ium-1-yl]amine bromide Formula: C20H17BrN2O MolecularWeight: 381.26578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=[N+]1C3=CC=C(C=C3)OC4=CC=CC=C4)N.[Br-]

Isomeric SMILES

C1C2=CC=CC=C2C(=[N+]1C3=CC=C(C=C3)OC4=CC=CC=C4)N.[Br-]

InChI

InChI=1S/C20H16N2O.BrH/c21-20-19-9-5-4-6-15(19)14-22(20)16-10-12-18(13-11-16)23-17-7-2-1-3-8-17;/h1-13,21H,14H2;1H