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

Systemtic Name: 2-[2-[2-(4-bromophenyl)sulfanylethyl]pyridin-1-ium-1-yl]-1-phenyl-ethanone Openeye Name: 2-[2-[2-(4-bromophenyl)sulfanylethyl]pyridin-1-ium-1-yl]-1-phenyl-ethanone CAS Name: 2-[2-[2-[(4-bromophenyl)thio]ethyl]-1-pyridin-1-iumyl]-1-phenylethanone IUPAC Name: 2-[2-[2-(4-bromophenyl)sulfanylethyl]pyridin-1-ium-1-yl]-1-phenylethanone Traditional Name: 2-[2-[2-[(4-bromophenyl)thio]ethyl]pyridin-1-ium-1-yl]-1-phenyl-ethanone Formula: C21H19BrNOS+ MolecularWeight: 413.35066

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H19BrNOS/c22-18-9-11-20(12-10-18)25-15-13-19-8-4-5-14-23(19)16-21(24)17-6-2-1-3-7-17/h1-12,14H,13,15-16H2/q+1