N-(2-chlorophenyl)-2-[4-[3-(methylsulfanylmethyl)phenyl]carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-chlorophenyl)-2-[4-[3-(methylsulfanylmethyl)phenyl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-chlorophenyl)-2-[4-[3-(methylsulfanylmethyl)benzoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-chlorophenyl)-2-[4-[[3-[(methylthio)methyl]phenyl]-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-chlorophenyl)-2-[4-[3-(methylsulfanylmethyl)benzoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-chlorophenyl)-2-[4-[3-[(methylthio)methyl]benzoyl]piperazin-1-ium-1-yl]acetamide Formula: C21H25ClN3O2S+ MolecularWeight: 418.9601

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3Cl

Isomeric SMILES

CSCC1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3Cl

InChI

InChI=1S/C21H24ClN3O2S/c1-28-15-16-5-4-6-17(13-16)21(27)25-11-9-24(10-12-25)14-20(26)23-19-8-3-2-7-18(19)22/h2-8,13H,9-12,14-15H2,1H3,(H,23,26)/p+1