methyl-phenyl-(pyridin-1-ium-1-ylmethyl)sulfanium diperchlorate

Systemtic Name: methyl-phenyl-(pyridin-1-ium-1-ylmethyl)sulfanium diperchlorate Openeye Name: methyl-phenyl-(pyridin-1-ium-1-ylmethyl)sulfonium diperchlorate CAS Name: methyl-phenyl-(1-pyridin-1-iumylmethyl)sulfonium diperchlorate IUPAC Name: methyl-phenyl-(pyridin-1-ium-1-ylmethyl)sulfanium diperchlorate Traditional Name: methyl-phenyl-(pyridin-1-ium-1-ylmethyl)sulfonium diperchlorate Formula: C13H15Cl2NO8S MolecularWeight: 416.2311

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Descriptors Computed from Structure

Canonical SMILES:

C[S+](C[N+]1=CC=CC=C1)C2=CC=CC=C2.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C[S+](C[N+]1=CC=CC=C1)C2=CC=CC=C2.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C13H15NS.2ClHO4/c1-15(13-8-4-2-5-9-13)12-14-10-6-3-7-11-14;2*2-1(3,4)5/h2-11H,12H2,1H3;2*(H,2,3,4,5)/q+2;;/p-2