[4-(2-cyanopropyl)phenyl]methyl-triphenyl-phosphanium chloride

Systemtic Name: [4-(2-cyanopropyl)phenyl]methyl-triphenyl-phosphanium chloride Openeye Name: [4-(2-cyanopropyl)phenyl]methyl-triphenyl-phosphonium chloride CAS Name: [4-(2-cyanopropyl)phenyl]methyl-triphenylphosphonium chloride IUPAC Name: [4-(2-cyanopropyl)phenyl]methyl-triphenylphosphanium chloride Traditional Name: [4-(2-cyanopropyl)benzyl]-triphenyl-phosphonium chloride Formula: C29H27ClNP MolecularWeight: 455.958141

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C#N.[Cl-]

Isomeric SMILES

CC(CC1=CC=C(C=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C#N.[Cl-]

InChI

InChI=1S/C29H27NP.ClH/c1-24(22-30)21-25-17-19-26(20-18-25)23-31(27-11-5-2-6-12-27,28-13-7-3-8-14-28)29-15-9-4-10-16-29;/h2-20,24H,21,23H2,1H3;1H/q+1;/p-1