2,6-dimethyl-1-phenoxathiin-2-yl-4-phenyl-pyridin-1-ium perchlorate

Systemtic Name: 2,6-dimethyl-1-phenoxathiin-2-yl-4-phenyl-pyridin-1-ium perchlorate Openeye Name: 2,6-dimethyl-1-phenoxathiin-2-yl-4-phenyl-pyridin-1-ium perchlorate CAS Name: 2,6-dimethyl-1-(2-phenoxathiinyl)-4-phenylpyridin-1-ium perchlorate IUPAC Name: 2,6-dimethyl-1-phenoxathiin-2-yl-4-phenylpyridin-1-ium perchlorate Traditional Name: 2,6-dimethyl-1-phenoxathiin-2-yl-4-phenyl-pyridin-1-ium perchlorate Formula: C25H20ClNO5S MolecularWeight: 481.948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=[N+]1C2=CC3=C(C=C2)OC4=CC=CC=C4S3)C)C5=CC=CC=C5.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=CC(=CC(=[N+]1C2=CC3=C(C=C2)OC4=CC=CC=C4S3)C)C5=CC=CC=C5.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C25H20NOS.ClHO4/c1-17-14-20(19-8-4-3-5-9-19)15-18(2)26(17)21-12-13-23-25(16-21)28-24-11-7-6-10-22(24)27-23;2-1(3,4)5/h3-16H,1-2H3;(H,2,3,4,5)/q+1;/p-1