1-[1,3-bis(phenylsulfanyl)propan-2-yl]-4-phenyl-pyridin-1-ium perchlorate

Systemtic Name: 1-[1,3-bis(phenylsulfanyl)propan-2-yl]-4-phenyl-pyridin-1-ium perchlorate Openeye Name: 4-phenyl-1-[2-phenylsulfanyl-1-(phenylsulfanylmethyl)ethyl]pyridin-1-ium perchlorate CAS Name: 1-[1,3-bis(phenylthio)propan-2-yl]-4-phenylpyridin-1-ium perchlorate IUPAC Name: 1-[1,3-bis(phenylsulfanyl)propan-2-yl]-4-phenylpyridin-1-ium perchlorate Traditional Name: 4-phenyl-1-[2-(phenylthio)-1-[(phenylthio)methyl]ethyl]pyridin-1-ium perchlorate Formula: C26H24ClNO4S2 MolecularWeight: 514.05606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=[N+](C=C2)C(CSC3=CC=CC=C3)CSC4=CC=CC=C4.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=[N+](C=C2)C(CSC3=CC=CC=C3)CSC4=CC=CC=C4.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C26H24NS2.ClHO4/c1-4-10-22(11-5-1)23-16-18-27(19-17-23)24(20-28-25-12-6-2-7-13-25)21-29-26-14-8-3-9-15-26;2-1(3,4)5/h1-19,24H,20-21H2;(H,2,3,4,5)/q+1;/p-1