(5-azanyl-3-oxidanylidene-2,4-dihydropyrrol-4-yl)-triphenyl-phosphanium bromide

Systemtic Name: (5-azanyl-3-oxidanylidene-2,4-dihydropyrrol-4-yl)-triphenyl-phosphanium bromide Openeye Name: (5-amino-3-oxo-2,4-dihydropyrrol-4-yl)-triphenyl-phosphonium bromide CAS Name: (5-amino-3-oxo-2,4-dihydropyrrol-4-yl)-triphenylphosphonium bromide IUPAC Name: (5-amino-3-oxo-2,4-dihydropyrrol-4-yl)-triphenylphosphanium bromide Traditional Name: (2-amino-4-keto-1-pyrrolin-3-yl)-triphenyl-phosphonium bromide Formula: C22H20BrN2OP MolecularWeight: 439.284761

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)C(C(=N1)N)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

C1C(=O)C(C(=N1)N)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C22H20N2OP.BrH/c23-22-21(20(25)16-24-22)26(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19;/h1-15,21H,16H2,(H2,23,24);1H/q+1;/p-1