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

Systemtic Name: 1-[(4-nitrophenyl)methyl]-2-(phenylmethylsulfanyl)pyridin-1-ium bromide Openeye Name: 2-benzylsulfanyl-1-[(4-nitrophenyl)methyl]pyridin-1-ium bromide CAS Name: 1-[(4-nitrophenyl)methyl]-2-(phenylmethylthio)pyridin-1-ium bromide IUPAC Name: 2-benzylsulfanyl-1-[(4-nitrophenyl)methyl]pyridin-1-ium bromide Traditional Name: 2-(benzylthio)-1-(4-nitrobenzyl)pyridin-1-ium bromide Formula: C19H17BrN2O2S MolecularWeight: 417.31948

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=CC=CC=[N+]2CC3=CC=C(C=C3)[N+](=O)[O-].[Br-]

Isomeric SMILES

C1=CC=C(C=C1)CSC2=CC=CC=[N+]2CC3=CC=C(C=C3)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C19H17N2O2S.BrH/c22-21(23)18-11-9-16(10-12-18)14-20-13-5-4-8-19(20)24-15-17-6-2-1-3-7-17;/h1-13H,14-15H2;1H/q+1;/p-1