2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]ethanone CAS Name: 2-[(2-chloro-6-fluorophenyl)methylthio]-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethanone Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-[(2-chloro-6-fluoro-benzyl)thio]ethanone Formula: C20H23ClFN2OS+ MolecularWeight: 393.925823

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CSCC3=C(C=CC=C3Cl)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CSCC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C20H22ClFN2OS/c21-18-7-4-8-19(22)17(18)14-26-15-20(25)24-11-9-23(10-12-24)13-16-5-2-1-3-6-16/h1-8H,9-15H2/p+1