[(E)-2-(2-azanylpyridin-1-ium-1-yl)-1-benzamido-ethenyl]-triphenyl-phosphanium diperchlorate

Systemtic Name: [(E)-2-(2-azanylpyridin-1-ium-1-yl)-1-benzamido-ethenyl]-triphenyl-phosphanium diperchlorate Openeye Name: [(E)-2-(2-aminopyridin-1-ium-1-yl)-1-benzamido-vinyl]-triphenyl-phosphonium diperchlorate CAS Name: [(E)-2-(2-amino-1-pyridin-1-iumyl)-1-benzamidoethenyl]-triphenylphosphonium diperchlorate IUPAC Name: [(E)-2-(2-aminopyridin-1-ium-1-yl)-1-benzamidoethenyl]-triphenylphosphanium diperchlorate Traditional Name: [(E)-2-(2-aminopyridin-1-ium-1-yl)-1-benzamido-vinyl]-triphenyl-phosphonium diperchlorate Formula: C32H28Cl2N3O9P MolecularWeight: 700.459181

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(=C[N+]2=CC=CC=C2N)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N/C(=C\[N+]2=CC=CC=C2N)/[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C32H26N3OP.2ClHO4/c33-30-23-13-14-24-35(30)25-31(34-32(36)26-15-5-1-6-16-26)37(27-17-7-2-8-18-27,28-19-9-3-10-20-28)29-21-11-4-12-22-29;2*2-1(3,4)5/h1-25,33H;2*(H,2,3,4,5)/b31-25+;;