[5-oxidanylidene-5-(propanoylamino)pentyl]-triphenyl-phosphanium bromide

Systemtic Name: [5-oxidanylidene-5-(propanoylamino)pentyl]-triphenyl-phosphanium bromide Openeye Name: [5-oxo-5-(propanoylamino)pentyl]-triphenyl-phosphonium bromide CAS Name: [5-oxo-5-(1-oxopropylamino)pentyl]-triphenylphosphonium bromide IUPAC Name: [5-oxo-5-(propanoylamino)pentyl]-triphenylphosphanium bromide Traditional Name: (5-keto-5-propionamido-pentyl)-triphenyl-phosphonium bromide Formula: C26H29BrNO2P MolecularWeight: 498.391721

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(=O)CCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]

Isomeric SMILES

CCC(=O)NC(=O)CCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]

InChI

InChI=1S/C26H28NO2P.BrH/c1-2-25(28)27-26(29)20-12-13-21-30(22-14-6-3-7-15-22,23-16-8-4-9-17-23)24-18-10-5-11-19-24;/h3-11,14-19H,2,12-13,20-21H2,1H3;1H