2-[2-[2-(3,4-dichlorophenyl)sulfanylethyl]pyridin-1-ium-1-yl]-1-phenyl-ethanone

Systemtic Name: 2-[2-[2-(3,4-dichlorophenyl)sulfanylethyl]pyridin-1-ium-1-yl]-1-phenyl-ethanone Openeye Name: 2-[2-[2-(3,4-dichlorophenyl)sulfanylethyl]pyridin-1-ium-1-yl]-1-phenyl-ethanone CAS Name: 2-[2-[2-[(3,4-dichlorophenyl)thio]ethyl]-1-pyridin-1-iumyl]-1-phenylethanone IUPAC Name: 2-[2-[2-(3,4-dichlorophenyl)sulfanylethyl]pyridin-1-ium-1-yl]-1-phenylethanone Traditional Name: 2-[2-[2-[(3,4-dichlorophenyl)thio]ethyl]pyridin-1-ium-1-yl]-1-phenyl-ethanone Formula: C21H18Cl2NOS+ MolecularWeight: 403.34472

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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)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H18Cl2NOS/c22-19-10-9-18(14-20(19)23)26-13-11-17-8-4-5-12-24(17)15-21(25)16-6-2-1-3-7-16/h1-10,12,14H,11,13,15H2/q+1