2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-(3-methylsulfanylphenyl)ethanamide

Systemtic Name: 2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-(3-methylsulfanylphenyl)ethanamide Openeye Name: 2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-(3-methylsulfanylphenyl)acetamide CAS Name: 2-[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]-N-[3-(methylthio)phenyl]acetamide IUPAC Name: 2-[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]-N-(3-methylsulfanylphenyl)acetamide Traditional Name: 2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-[3-(methylthio)phenyl]acetamide Formula: C20H25ClN3OS+ MolecularWeight: 390.95

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)SC

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)SC

InChI

InChI=1S/C20H24ClN3OS/c1-15-6-7-16(21)12-19(15)24-10-8-23(9-11-24)14-20(25)22-17-4-3-5-18(13-17)26-2/h3-7,12-13H,8-11,14H2,1-2H3,(H,22,25)/p+1