N-(2-chlorophenyl)-2-[4-[(2-methylsulfanylbenzimidazol-1-yl)methyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-chlorophenyl)-2-[4-[(2-methylsulfanylbenzimidazol-1-yl)methyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-chlorophenyl)-2-[4-[(2-methylsulfanylbenzimidazol-1-yl)methyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-chlorophenyl)-2-[4-[[2-(methylthio)-1-benzimidazolyl]methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-chlorophenyl)-2-[4-[(2-methylsulfanylbenzimidazol-1-yl)methyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-chlorophenyl)-2-[4-[[2-(methylthio)benzimidazol-1-yl]methyl]piperazin-1-ium-1-yl]acetamide Formula: C21H25ClN5OS+ MolecularWeight: 430.9741

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=CC=CC=C2N1CN3CC[NH+](CC3)CC(=O)NC4=CC=CC=C4Cl

Isomeric SMILES

CSC1=NC2=CC=CC=C2N1CN3CC[NH+](CC3)CC(=O)NC4=CC=CC=C4Cl

InChI

InChI=1S/C21H24ClN5OS/c1-29-21-24-18-8-4-5-9-19(18)27(21)15-26-12-10-25(11-13-26)14-20(28)23-17-7-3-2-6-16(17)22/h2-9H,10-15H2,1H3,(H,23,28)/p+1