1-methyl-2-[nitro(phenyl)methyl]sulfanyl-pyridin-1-ium chloride

Systemtic Name: 1-methyl-2-[nitro(phenyl)methyl]sulfanyl-pyridin-1-ium chloride Openeye Name: 1-methyl-2-[nitro(phenyl)methyl]sulfanyl-pyridin-1-ium chloride CAS Name: 1-methyl-2-[[nitro(phenyl)methyl]thio]pyridin-1-ium chloride IUPAC Name: 1-methyl-2-[nitro(phenyl)methyl]sulfanylpyridin-1-ium chloride Traditional Name: 1-methyl-2-[[nitro(phenyl)methyl]thio]pyridin-1-ium chloride Formula: C13H13ClN2O2S MolecularWeight: 296.77252

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1SC(C2=CC=CC=C2)[N+](=O)[O-].[Cl-]

Isomeric SMILES

C[N+]1=CC=CC=C1SC(C2=CC=CC=C2)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C13H13N2O2S.ClH/c1-14-10-6-5-9-12(14)18-13(15(16)17)11-7-3-2-4-8-11;/h2-10,13H,1H3;1H/q+1;/p-1