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

Systemtic Name: 2-[2-[2-(4-nitrophenyl)sulfanylethyl]pyridin-1-ium-1-yl]-1-phenyl-ethanone Openeye Name: 2-[2-[2-(4-nitrophenyl)sulfanylethyl]pyridin-1-ium-1-yl]-1-phenyl-ethanone CAS Name: 2-[2-[2-[(4-nitrophenyl)thio]ethyl]-1-pyridin-1-iumyl]-1-phenylethanone IUPAC Name: 2-[2-[2-(4-nitrophenyl)sulfanylethyl]pyridin-1-ium-1-yl]-1-phenylethanone Traditional Name: 2-[2-[2-[(4-nitrophenyl)thio]ethyl]pyridin-1-ium-1-yl]-1-phenyl-ethanone Formula: C21H19N2O3S+ MolecularWeight: 379.45216

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C21H19N2O3S/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/q+1