2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl-tris(2-cyanoethyl)phosphanium bromide

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl-tris(2-cyanoethyl)phosphanium bromide Openeye Name: tris(2-cyanoethyl)-[2-(1,3-dioxoisoindolin-2-yl)ethyl]phosphonium bromide CAS Name: tris(2-cyanoethyl)-[2-(1,3-dioxo-2-isoindolyl)ethyl]phosphonium bromide IUPAC Name: tris(2-cyanoethyl)-[2-(1,3-dioxoisoindol-2-yl)ethyl]phosphanium bromide Traditional Name: tris(2-cyanoethyl)-(2-phthalimidoethyl)phosphonium bromide Formula: C19H20BrN4O2P MolecularWeight: 447.265461

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CC[P+](CCC#N)(CCC#N)CCC#N.[Br-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CC[P+](CCC#N)(CCC#N)CCC#N.[Br-]

InChI

InChI=1S/C19H20N4O2P.BrH/c20-8-3-12-26(13-4-9-21,14-5-10-22)15-11-23-18(24)16-6-1-2-7-17(16)19(23)25;/h1-2,6-7H,3-5,11-15H2;1H/q+1;/p-1