2-(4-chlorophenyl)sulfanyl-1-(4-methylpiperazin-4-ium-1-yl)ethanone

Systemtic Name: 2-(4-chlorophenyl)sulfanyl-1-(4-methylpiperazin-4-ium-1-yl)ethanone Openeye Name: 2-(4-chlorophenyl)sulfanyl-1-(4-methylpiperazin-4-ium-1-yl)ethanone CAS Name: 2-[(4-chlorophenyl)thio]-1-(4-methyl-1-piperazin-4-iumyl)ethanone IUPAC Name: 2-(4-chlorophenyl)sulfanyl-1-(4-methylpiperazin-4-ium-1-yl)ethanone Traditional Name: 2-[(4-chlorophenyl)thio]-1-(4-methylpiperazin-4-ium-1-yl)ethanone Formula: C13H18ClN2OS+ MolecularWeight: 285.81282

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CSC2=CC=C(C=C2)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H17ClN2OS/c1-15-6-8-16(9-7-15)13(17)10-18-12-4-2-11(14)3-5-12/h2-5H,6-10H2,1H3/p+1