2-[2-[2-(4-nitrophenyl)sulfanylethyl]pyridin-1-ium-1-yl]-1-phenyl-ethanone bromide

Systemtic Name: 2-[2-[2-(4-nitrophenyl)sulfanylethyl]pyridin-1-ium-1-yl]-1-phenyl-ethanone bromide Openeye Name: 2-[2-[2-(4-nitrophenyl)sulfanylethyl]pyridin-1-ium-1-yl]-1-phenyl-ethanone bromide CAS Name: 2-[2-[2-[(4-nitrophenyl)thio]ethyl]-1-pyridin-1-iumyl]-1-phenylethanone bromide IUPAC Name: 2-[2-[2-(4-nitrophenyl)sulfanylethyl]pyridin-1-ium-1-yl]-1-phenylethanone bromide Traditional Name: 2-[2-[2-[(4-nitrophenyl)thio]ethyl]pyridin-1-ium-1-yl]-1-phenyl-ethanone bromide Formula: C21H19BrN2O3S MolecularWeight: 459.35616

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C[N+]2=CC=CC=C2CCSC3=CC=C(C=C3)[N+](=O)[O-].[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C[N+]2=CC=CC=C2CCSC3=CC=C(C=C3)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C21H19N2O3S.BrH/c24-21(17-6-2-1-3-7-17)16-22-14-5-4-8-18(22)13-15-27-20-11-9-19(10-12-20)23(25)26;/h1-12,14H,13,15-16H2;1H/q+1;/p-1