[5-bromanyl-2-(4-phenylbutanoylamino)phenyl]methyl-triphenyl-phosphanium

Systemtic Name: [5-bromanyl-2-(4-phenylbutanoylamino)phenyl]methyl-triphenyl-phosphanium Openeye Name: [5-bromo-2-(4-phenylbutanoylamino)phenyl]methyl-triphenyl-phosphonium CAS Name: [5-bromo-2-[(1-oxo-4-phenylbutyl)amino]phenyl]methyl-triphenylphosphonium IUPAC Name: [5-bromo-2-(4-phenylbutanoylamino)phenyl]methyl-triphenylphosphanium Traditional Name: [5-bromo-2-(4-phenylbutanoylamino)benzyl]-triphenyl-phosphonium Formula: C35H32BrNOP+ MolecularWeight: 593.512441

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC(=O)NC2=C(C=C(C=C2)Br)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CCCC(=O)NC2=C(C=C(C=C2)Br)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C35H31BrNOP/c36-30-24-25-34(37-35(38)23-13-16-28-14-5-1-6-15-28)29(26-30)27-39(31-17-7-2-8-18-31,32-19-9-3-10-20-32)33-21-11-4-12-22-33/h1-12,14-15,17-22,24-26H,13,16,23,27H2/p+1