2,4,6-tris(4-methylphenyl)-1-pyridin-4-yl-pyridin-1-ium perchlorate

Systemtic Name: 2,4,6-tris(4-methylphenyl)-1-pyridin-4-yl-pyridin-1-ium perchlorate Openeye Name: 2,4,6-tris(p-tolyl)-1-(4-pyridyl)pyridin-1-ium perchlorate CAS Name: 2,4,6-tris(4-methylphenyl)-1-pyridin-4-ylpyridin-1-ium perchlorate IUPAC Name: 2,4,6-tris(4-methylphenyl)-1-pyridin-4-ylpyridin-1-ium perchlorate Traditional Name: 2,4,6-tris(p-tolyl)-1-(4-pyridyl)pyridin-1-ium perchlorate Formula: C31H27ClN2O4 MolecularWeight: 527.01008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C3=CC=C(C=C3)C)C4=CC=NC=C4)C5=CC=C(C=C5)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C3=CC=C(C=C3)C)C4=CC=NC=C4)C5=CC=C(C=C5)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C31H27N2.ClHO4/c1-22-4-10-25(11-5-22)28-20-30(26-12-6-23(2)7-13-26)33(29-16-18-32-19-17-29)31(21-28)27-14-8-24(3)9-15-27;2-1(3,4)5/h4-21H,1-3H3;(H,2,3,4,5)/q+1;/p-1