[3-(cyanomethyl)phenyl]methyl-triphenyl-phosphanium chloride

Systemtic Name: [3-(cyanomethyl)phenyl]methyl-triphenyl-phosphanium chloride Openeye Name: [3-(cyanomethyl)phenyl]methyl-triphenyl-phosphonium chloride CAS Name: [3-(cyanomethyl)phenyl]methyl-triphenylphosphonium chloride IUPAC Name: [3-(cyanomethyl)phenyl]methyl-triphenylphosphanium chloride Traditional Name: [3-(cyanomethyl)benzyl]-triphenyl-phosphonium chloride Formula: C27H23ClNP MolecularWeight: 427.904981

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[P+](CC2=CC=CC(=C2)CC#N)(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)[P+](CC2=CC=CC(=C2)CC#N)(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C27H23NP.ClH/c28-20-19-23-11-10-12-24(21-23)22-29(25-13-4-1-5-14-25,26-15-6-2-7-16-26)27-17-8-3-9-18-27;/h1-18,21H,19,22H2;1H/q+1;/p-1