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

Systemtic Name: 2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-[2-(cyanomethylsulfanyl)phenyl]ethanamide Openeye Name: 2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-[2-(cyanomethylsulfanyl)phenyl]acetamide CAS Name: 2-[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]-N-[2-(cyanomethylthio)phenyl]acetamide IUPAC Name: 2-[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]-N-[2-(cyanomethylsulfanyl)phenyl]acetamide Traditional Name: 2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-[2-(cyanomethylthio)phenyl]acetamide Formula: C21H24ClN4OS+ MolecularWeight: 415.95946

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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=C3SCC#N

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3SCC#N

InChI

InChI=1S/C21H23ClN4OS/c1-16-6-7-17(22)14-19(16)26-11-9-25(10-12-26)15-21(27)24-18-4-2-3-5-20(18)28-13-8-23/h2-7,14H,9-13,15H2,1H3,(H,24,27)/p+1