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

Systemtic Name: 1-phenyl-2-[4-(2-phenylsulfanylethyl)pyridin-1-ium-1-yl]ethanone Openeye Name: 1-phenyl-2-[4-(2-phenylsulfanylethyl)pyridin-1-ium-1-yl]ethanone CAS Name: 1-phenyl-2-[4-[2-(phenylthio)ethyl]-1-pyridin-1-iumyl]ethanone IUPAC Name: 1-phenyl-2-[4-(2-phenylsulfanylethyl)pyridin-1-ium-1-yl]ethanone Traditional Name: 1-phenyl-2-[4-[2-(phenylthio)ethyl]pyridin-1-ium-1-yl]ethanone Formula: C21H20NOS+ MolecularWeight: 334.4546

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C[N+]2=CC=C(C=C2)CCSC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C[N+]2=CC=C(C=C2)CCSC3=CC=CC=C3

InChI

InChI=1S/C21H20NOS/c23-21(19-7-3-1-4-8-19)17-22-14-11-18(12-15-22)13-16-24-20-9-5-2-6-10-20/h1-12,14-15H,13,16-17H2/q+1