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

Systemtic Name: 1-[1,3-bis(phenylmethylsulfanyl)propan-2-yl]-4-phenyl-pyridin-1-ium perchlorate Openeye Name: 1-[2-benzylsulfanyl-1-(benzylsulfanylmethyl)ethyl]-4-phenyl-pyridin-1-ium perchlorate CAS Name: 1-[1,3-bis(phenylmethylthio)propan-2-yl]-4-phenylpyridin-1-ium perchlorate IUPAC Name: 1-[1,3-bis(benzylsulfanyl)propan-2-yl]-4-phenylpyridin-1-ium perchlorate Traditional Name: 1-[2-(benzylthio)-1-[(benzylthio)methyl]ethyl]-4-phenyl-pyridin-1-ium perchlorate Formula: C28H28ClNO4S2 MolecularWeight: 542.10922

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC(CSCC2=CC=CC=C2)[N+]3=CC=C(C=C3)C4=CC=CC=C4.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C1=CC=C(C=C1)CSCC(CSCC2=CC=CC=C2)[N+]3=CC=C(C=C3)C4=CC=CC=C4.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C28H28NS2.ClHO4/c1-4-10-24(11-5-1)20-30-22-28(23-31-21-25-12-6-2-7-13-25)29-18-16-27(17-19-29)26-14-8-3-9-15-26;2-1(3,4)5/h1-19,28H,20-23H2;(H,2,3,4,5)/q+1;/p-1