8-(hexanoylamino)octyl-triphenyl-phosphanium bromide

Systemtic Name: 8-(hexanoylamino)octyl-triphenyl-phosphanium bromide Openeye Name: 8-(hexanoylamino)octyl-triphenyl-phosphonium bromide CAS Name: 8-(1-oxohexylamino)octyl-triphenylphosphonium bromide IUPAC Name: 8-(hexanoylamino)octyl-triphenylphosphanium bromide Traditional Name: 8-(caproylamino)octyl-triphenyl-phosphonium bromide Formula: C32H43BrNOP MolecularWeight: 568.567681

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NCCCCCCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]

Isomeric SMILES

CCCCCC(=O)NCCCCCCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]

InChI

InChI=1S/C32H42NOP.BrH/c1-2-3-11-26-32(34)33-27-18-6-4-5-7-19-28-35(29-20-12-8-13-21-29,30-22-14-9-15-23-30)31-24-16-10-17-25-31;/h8-10,12-17,20-25H,2-7,11,18-19,26-28H2,1H3;1H