(1-acetamido-1-oxidanylidene-pentan-2-yl)-triphenyl-phosphanium bromide

Systemtic Name: (1-acetamido-1-oxidanylidene-pentan-2-yl)-triphenyl-phosphanium bromide Openeye Name: 1-(acetylcarbamoyl)butyl-triphenyl-phosphonium bromide CAS Name: (1-acetamido-1-oxopentan-2-yl)-triphenylphosphonium bromide IUPAC Name: (1-acetamido-1-oxopentan-2-yl)-triphenylphosphanium bromide Traditional Name: 1-(acetylcarbamoyl)butyl-triphenyl-phosphonium bromide Formula: C25H27BrNO2P MolecularWeight: 484.365141

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26NO2P.BrH/c1-3-13-24(25(28)26-20(2)27)29(21-14-7-4-8-15-21,22-16-9-5-10-17-22)23-18-11-6-12-19-23;/h4-12,14-19,24H,3,13H2,1-2H3;1H