2-[2,5-bis(oxidanylidene)pyrrol-1-yl]ethyl-triphenyl-phosphanium bromide

Systemtic Name: 2-[2,5-bis(oxidanylidene)pyrrol-1-yl]ethyl-triphenyl-phosphanium bromide Openeye Name: 2-(2,5-dioxopyrrol-1-yl)ethyl-triphenyl-phosphonium bromide CAS Name: 2-(2,5-dioxo-1-pyrrolyl)ethyl-triphenylphosphonium bromide IUPAC Name: 2-(2,5-dioxopyrrol-1-yl)ethyl-triphenylphosphanium bromide Traditional Name: 2-maleimidoethyl(triphenyl)phosphonium bromide Formula: C24H21BrNO2P MolecularWeight: 466.306801

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[P+](CCN2C(=O)C=CC2=O)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)[P+](CCN2C(=O)C=CC2=O)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C24H21NO2P.BrH/c26-23-16-17-24(27)25(23)18-19-28(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22;/h1-17H,18-19H2;1H/q+1;/p-1