2-(3-chloranyl-4-fluoranyl-phenyl)sulfanyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-(3-chloranyl-4-fluoranyl-phenyl)sulfanyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(3-chloro-4-fluoro-phenyl)sulfanyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[(3-chloro-4-fluorophenyl)thio]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-(3-chloro-4-fluorophenyl)sulfanyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[(3-chloro-4-fluoro-phenyl)thio]-1-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C17H18ClFN3OS+ MolecularWeight: 366.860723

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CSC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CSC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C17H17ClFN3OS/c18-14-11-13(4-5-15(14)19)24-12-17(23)22-9-7-21(8-10-22)16-3-1-2-6-20-16/h1-6,11H,7-10,12H2/p+1