[5-(2,2-dimethylpropanoylamino)-5-oxidanylidene-pentyl]-triphenyl-phosphanium bromide

Systemtic Name: [5-(2,2-dimethylpropanoylamino)-5-oxidanylidene-pentyl]-triphenyl-phosphanium bromide Openeye Name: [5-(2,2-dimethylpropanoylamino)-5-oxo-pentyl]-triphenyl-phosphonium bromide CAS Name: [5-[(2,2-dimethyl-1-oxopropyl)amino]-5-oxopentyl]-triphenylphosphonium bromide IUPAC Name: [5-(2,2-dimethylpropanoylamino)-5-oxopentyl]-triphenylphosphanium bromide Traditional Name: [5-keto-5-(pivaloylamino)pentyl]-triphenyl-phosphonium bromide Formula: C28H33BrNO2P MolecularWeight: 526.444881

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H32NO2P.BrH/c1-28(2,3)27(31)29-26(30)21-13-14-22-32(23-15-7-4-8-16-23,24-17-9-5-10-18-24)25-19-11-6-12-20-25;/h4-12,15-20H,13-14,21-22H2,1-3H3;1H