1-methyl-2-[(4-nitrophenyl)methylsulfanyl]pyridin-1-ium bromide

Systemtic Name: 1-methyl-2-[(4-nitrophenyl)methylsulfanyl]pyridin-1-ium bromide Openeye Name: 1-methyl-2-[(4-nitrophenyl)methylsulfanyl]pyridin-1-ium bromide CAS Name: 1-methyl-2-[(4-nitrophenyl)methylthio]pyridin-1-ium bromide IUPAC Name: 1-methyl-2-[(4-nitrophenyl)methylsulfanyl]pyridin-1-ium bromide Traditional Name: 1-methyl-2-[(4-nitrobenzyl)thio]pyridin-1-ium bromide Formula: C13H13BrN2O2S MolecularWeight: 341.22352

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1SCC2=CC=C(C=C2)[N+](=O)[O-].[Br-]

Isomeric SMILES

C[N+]1=CC=CC=C1SCC2=CC=C(C=C2)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C13H13N2O2S.BrH/c1-14-9-3-2-4-13(14)18-10-11-5-7-12(8-6-11)15(16)17;/h2-9H,10H2,1H3;1H/q+1;/p-1