(4-cyano-1-phenyl-butyl)-triphenyl-phosphanium chloride

Systemtic Name: (4-cyano-1-phenyl-butyl)-triphenyl-phosphanium chloride Openeye Name: (4-cyano-1-phenyl-butyl)-triphenyl-phosphonium chloride CAS Name: (4-cyano-1-phenylbutyl)-triphenylphosphonium chloride IUPAC Name: (4-cyano-1-phenylbutyl)-triphenylphosphanium chloride Traditional Name: (4-cyano-1-phenyl-butyl)-triphenyl-phosphonium chloride Formula: C29H27ClNP MolecularWeight: 455.958141

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCCC#N)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)C(CCCC#N)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C29H27NP.ClH/c30-24-14-13-23-29(25-15-5-1-6-16-25)31(26-17-7-2-8-18-26,27-19-9-3-10-20-27)28-21-11-4-12-22-28;/h1-12,15-22,29H,13-14,23H2;1H/q+1;/p-1