2-[(4-chlorophenyl)methylsulfanyl]-1-(4-methylpiperazin-4-ium-1-yl)ethanone

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-1-(4-methylpiperazin-4-ium-1-yl)ethanone Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-1-(4-methylpiperazin-4-ium-1-yl)ethanone CAS Name: 2-[(4-chlorophenyl)methylthio]-1-(4-methyl-1-piperazin-4-iumyl)ethanone IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-1-(4-methylpiperazin-4-ium-1-yl)ethanone Traditional Name: 2-[(4-chlorobenzyl)thio]-1-(4-methylpiperazin-4-ium-1-yl)ethanone Formula: C14H20ClN2OS+ MolecularWeight: 299.8394

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CSCC2=CC=C(C=C2)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CSCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H19ClN2OS/c1-16-6-8-17(9-7-16)14(18)11-19-10-12-2-4-13(15)5-3-12/h2-5H,6-11H2,1H3/p+1