[1-[2-(4-chlorophenyl)sulfanylethyl]pyridin-1-ium-4-yl]-phenyl-methanone

Systemtic Name: [1-[2-(4-chlorophenyl)sulfanylethyl]pyridin-1-ium-4-yl]-phenyl-methanone Openeye Name: [1-[2-(4-chlorophenyl)sulfanylethyl]pyridin-1-ium-4-yl]-phenyl-methanone CAS Name: [1-[2-[(4-chlorophenyl)thio]ethyl]-4-pyridin-1-iumyl]-phenylmethanone IUPAC Name: [1-[2-(4-chlorophenyl)sulfanylethyl]pyridin-1-ium-4-yl]-phenylmethanone Traditional Name: [1-[2-[(4-chlorophenyl)thio]ethyl]pyridin-1-ium-4-yl]-phenyl-methanone Formula: C20H17ClNOS+ MolecularWeight: 354.87308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClNOS/c21-18-6-8-19(9-7-18)24-15-14-22-12-10-17(11-13-22)20(23)16-4-2-1-3-5-16/h1-13H,14-15H2/q+1