3-(2,4,6-triphenylpyridin-1-ium-1-yl)propanoic acid perchlorate

Systemtic Name: 3-(2,4,6-triphenylpyridin-1-ium-1-yl)propanoic acid perchlorate Openeye Name: 3-(2,4,6-triphenylpyridin-1-ium-1-yl)propanoic acid perchlorate CAS Name: 3-(2,4,6-triphenyl-1-pyridin-1-iumyl)propanoic acid perchlorate IUPAC Name: 3-(2,4,6-triphenylpyridin-1-ium-1-yl)propanoic acid perchlorate Traditional Name: 3-(2,4,6-triphenylpyridin-1-ium-1-yl)propionic acid perchlorate Formula: C26H22ClNO6 MolecularWeight: 479.90898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H21NO2.ClHO4/c28-26(29)16-17-27-24(21-12-6-2-7-13-21)18-23(20-10-4-1-5-11-20)19-25(27)22-14-8-3-9-15-22;2-1(3,4)5/h1-15,18-19H,16-17H2;(H,2,3,4,5)