2-(phenethylamino)ethyl-triphenyl-phosphanium bromide

Systemtic Name: 2-(phenethylamino)ethyl-triphenyl-phosphanium bromide Openeye Name: 2-(phenethylamino)ethyl-triphenyl-phosphonium bromide CAS Name: 2-(phenethylamino)ethyl-triphenylphosphonium bromide IUPAC Name: 2-(phenethylamino)ethyl-triphenylphosphanium bromide Traditional Name: 2-(phenethylamino)ethyl-triphenyl-phosphonium bromide Formula: C28H29BrNP MolecularWeight: 490.414321

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)CCNCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C28H29NP.BrH/c1-5-13-25(14-6-1)21-22-29-23-24-30(26-15-7-2-8-16-26,27-17-9-3-10-18-27)28-19-11-4-12-20-28;/h1-20,29H,21-24H2;1H/q+1;/p-1