[1-cyano-2-[(phenylmethyl)amino]ethenyl]-triphenyl-phosphanium perchlorate

Systemtic Name: [1-cyano-2-[(phenylmethyl)amino]ethenyl]-triphenyl-phosphanium perchlorate Openeye Name: [2-(benzylamino)-1-cyano-vinyl]-triphenyl-phosphonium perchlorate CAS Name: [1-cyano-2-[(phenylmethyl)amino]ethenyl]-triphenylphosphonium perchlorate IUPAC Name: [2-(benzylamino)-1-cyanoethenyl]-triphenylphosphanium perchlorate Traditional Name: [2-(benzylamino)-1-cyano-vinyl]-triphenyl-phosphonium perchlorate Formula: C28H24ClN2O4P MolecularWeight: 518.927921

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H24N2P.ClHO4/c29-21-28(23-30-22-24-13-5-1-6-14-24)31(25-15-7-2-8-16-25,26-17-9-3-10-18-26)27-19-11-4-12-20-27;2-1(3,4)5/h1-20,23,30H,22H2;(H,2,3,4,5)/q+1;/p-1